methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate

C17H24N2O4 — CID 146222506

IUPACmethyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate
SMILESCOC(=O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C17H24N2O4/c1-23-17(22)15(20)14(10-11-5-3-2-4-6-11)19-16(21)13(18)9-12-7-8-12/h2-6,12-15,20H,7-10,18H2,1H3,(H,19,21)/t13-,14?,15?/m0/s1
InChIKeyMXXNACYSIYVZSR-NFOMZHRRSA-N
MW320.39 g/mol
LogP0.38
Rot. Bonds8

About methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate

methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate (PubChem CID 146222506) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate
PubChem CID146222506
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate
SMILESCOC(=O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C17H24N2O4/c1-23-17(22)15(20)14(10-11-5-3-2-4-6-11)19-16(21)13(18)9-12-7-8-12/h2-6,12-15,20H,7-10,18H2,1H3,(H,19,21)/t13-,14?,15?/m0/s1
InChIKeyMXXNACYSIYVZSR-NFOMZHRRSA-N
XLogP0.38
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate with MolForge

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Related Compounds

methyl 4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 67247253
methyl (6S)-6-amino-3-benzyl-7-cyclopropyl-2-hydroxy-5-oxoheptanoate;hydrochloride
CID 159806245
methyl 3-[[(2S)-3-cyclopropyl-2-[(3-methoxybenzoyl)amino]propanoyl]amino]-2-hydroxy-4-phenylbutanoate
CID 146222503
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
methyl 2-hydroxy-4-phenyl-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 70062434
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
N-[(2S)-3-cyclopropyl-1-[[3-hydroxy-4-(methoxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
CID 146222534
2-amino-N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methylbutanamide;hydrochloride
CID 146222527
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate
CID 162479074
(2S,3S)-3-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-N-(cyclohexylmethyl)-2-hydroxy-4-phenylbutanamide
CID 501725

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate?
The IUPAC name of methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate (CID 146222506) is methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate is COC(=O)C(O)C(Cc1ccccc1)NC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate?
The InChIKey is MXXNACYSIYVZSR-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-23-17(22)15(20)14(10-11-5-3-2-4-6-11)19-16(21)13(18)9-12-7-8-12/h2-6,12-15,20H,7-10,18H2,1H3,(H,19,21)/t13-,14?,15?/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate?
methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate has a molecular weight of 320.39 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 146222506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).