methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate

C18H21NO3 — CID 9245605

IUPACmethyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC
InChIInChI=1S/C18H21NO3/c1-4-12(2)16(18(21)22-3)19-17(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3,(H,19,20)/t12-,16+/m0/s1
InChIKeyQCMFLUCBYOQVOZ-BLLLJJGKSA-N
MW299.37 g/mol
LogP3.16
Rot. Bonds5

About methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate

methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate (PubChem CID 9245605) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
PubChem CID9245605
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC
InChIInChI=1S/C18H21NO3/c1-4-12(2)16(18(21)22-3)19-17(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3,(H,19,20)/t12-,16+/m0/s1
InChIKeyQCMFLUCBYOQVOZ-BLLLJJGKSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl (2R,3R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylpentanoate
CID 95296407
methyl (2S,3R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylpentanoate
CID 94831277
methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 103706697
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-methylpentanoate
CID 59949573
methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-methylpentanoate
CID 71902431
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate?
The IUPAC name of methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate (CID 9245605) is methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate.
What is the SMILES notation for methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate?
The canonical SMILES for methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate is CC[C@H](C)[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC.
What is the InChIKey of methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate?
The InChIKey is QCMFLUCBYOQVOZ-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-12(2)16(18(21)22-3)19-17(20)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3,(H,19,20)/t12-,16+/m0/s1.
What are the key properties of methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate?
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate has a molecular weight of 299.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate is sourced from PubChem (CID 9245605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).