methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate

C15H16N2O3 — CID 61209553

IUPACmethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H16N2O3/c1-9(15(19)20-2)17-14(18)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-9H,16H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyUZSROLGZQNILCY-VIFPVBQESA-N
MW272.30 g/mol
LogP1.71
Rot. Bonds3

About methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate (PubChem CID 61209553) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
PubChem CID61209553
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H16N2O3/c1-9(15(19)20-2)17-14(18)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-9H,16H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyUZSROLGZQNILCY-VIFPVBQESA-N
XLogP1.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-methoxybutanoate
CID 69435371
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate
CID 69439961
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
CID 69431961
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
CID 141145790
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
CID 66701306
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-[(3-aminonaphthalene-2-carbonyl)amino]-2-[4-(trifluoromethyl)cyclohexyl]acetate;hydrochloride
CID 57450480

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate (CID 61209553) is methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate?
The InChIKey is UZSROLGZQNILCY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(15(19)20-2)17-14(18)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-9H,16H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate?
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate has a molecular weight of 272.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 61209553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).