methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate

C15H21NO3 — CID 95271907

IUPACmethyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate
SMILESCC[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-11(2)15(18)16-13(10-14(17)19-3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyQRZZGCUXDBVIAQ-DGCLKSJQSA-N
MW263.34 g/mol
LogP2.45
Rot. Bonds6

About methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate

methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate (PubChem CID 95271907) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate
PubChem CID95271907
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate
SMILESCC[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-11(2)15(18)16-13(10-14(17)19-3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)/t11-,13-/m1/s1
InChIKeyQRZZGCUXDBVIAQ-DGCLKSJQSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
(2S)-4-methoxy-4-oxo-2-(2-phenylbutanoylamino)butanoic acid
CID 63307236
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (3S)-3-[(2-cyanoacetyl)amino]-3-phenylpropanoate
CID 96917611
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate (CID 95271907) is methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate is CC[C@@H](C)C(=O)N[C@H](CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate?
The InChIKey is QRZZGCUXDBVIAQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11(2)15(18)16-13(10-14(17)19-3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)/t11-,13-/m1/s1.
What are the key properties of methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate?
methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[(2R)-2-methylbutanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 95271907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).