methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate

C17H19NO4 — CID 101108438

IUPACmethyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
SMILESCOCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC
InChIInChI=1S/C17H19NO4/c1-21-10-9-15(17(20)22-2)18-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15H,9-10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyMFCRBVCSKFBTBY-HNNXBMFYSA-N
MW301.34 g/mol
LogP2.15
Rot. Bonds6

About methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate

methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate (PubChem CID 101108438) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
PubChem CID101108438
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
SMILESCOCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC
InChIInChI=1S/C17H19NO4/c1-21-10-9-15(17(20)22-2)18-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15H,9-10H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyMFCRBVCSKFBTBY-HNNXBMFYSA-N
XLogP2.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[6-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]naphthalene-2-carbonyl]amino]-3-sulfanylpropanoate
CID 58452015
methyl (2S)-2-[(4-bromobenzoyl)amino]-4-methoxybutanoate
CID 59948655
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
CID 143212332
methyl (2S)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-4-methoxybutanoate
CID 59948534
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
methyl 2-[(4-bromo-3,5-dimethylbenzoyl)amino]-4-methoxybutanoate
CID 20624200

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate?
The IUPAC name of methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate (CID 101108438) is methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate.
What is the SMILES notation for methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate?
The canonical SMILES for methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate is COCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC.
What is the InChIKey of methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate?
The InChIKey is MFCRBVCSKFBTBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-10-9-15(17(20)22-2)18-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,15H,9-10H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate?
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate has a molecular weight of 301.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate is sourced from PubChem (CID 101108438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).