methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate

C23H27NO4 — CID 3247271

IUPACmethyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16(21(25)27-3)19-14-23(19,2)20(18-12-8-5-9-13-18)24-22(26)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)/t16-,19-,20-,23+/m1/s1
InChIKeyBJOYJQPKUFGPMS-NNHNJENNSA-N
MW381.47 g/mol
LogP4.49
Rot. Bonds7

About methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate

methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate (PubChem CID 3247271) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate
PubChem CID3247271
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namemethyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16(21(25)27-3)19-14-23(19,2)20(18-12-8-5-9-13-18)24-22(26)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)/t16-,19-,20-,23+/m1/s1
InChIKeyBJOYJQPKUFGPMS-NNHNJENNSA-N
XLogP4.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate with MolForge

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Related Compounds

benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
methyl (2R)-2-[(1S,2R)-2-methyl-2-[(R)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate
CID 3247272
benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-[[(2R)-1-hydroxypropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247281
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester
CID 3247282
benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247284
benzyl N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(methylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamate
CID 3247286
benzyl N-[(R)-[(1R,2S)-2-[(2R)-1-[[(2R)-1-hydroxypropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247290
benzyl N-[(R)-[(1R,2S)-2-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247291
benzyl N-[(R)-[(1R,2S)-2-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247293
trans-methyl (1S,2S)-2-[(S)-phenyl-[[(1S,2S)-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 5461308
methyl 4-[(R)-benzamido-[(1R,2R)-1,2-dipropylcyclopropyl]methyl]benzoate
CID 5461310

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate?
The IUPAC name of methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate (CID 3247271) is methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate?
The canonical SMILES for methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate is COC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate?
The InChIKey is BJOYJQPKUFGPMS-NNHNJENNSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16(21(25)27-3)19-14-23(19,2)20(18-12-8-5-9-13-18)24-22(26)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)/t16-,19-,20-,23+/m1/s1.
What are the key properties of methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate?
methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate has a molecular weight of 381.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R,2S)-2-methyl-2-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]cyclopropyl]propanoate is sourced from PubChem (CID 3247271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).