methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate

C15H21N3O3 — CID 162479074

IUPACmethyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C15H21N3O3/c1-21-15(20)13(9-11-4-2-3-7-17-11)18-14(19)12(16)8-10-5-6-10/h2-4,7,10,12-13H,5-6,8-9,16H2,1H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyJYSBWUWKCMHLAB-STQMWFEESA-N
MW291.35 g/mol
LogP0.41
Rot. Bonds7

About methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate

methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 162479074) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate
PubChem CID162479074
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C15H21N3O3/c1-21-15(20)13(9-11-4-2-3-7-17-11)18-14(19)12(16)8-10-5-6-10/h2-4,7,10,12-13H,5-6,8-9,16H2,1H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyJYSBWUWKCMHLAB-STQMWFEESA-N
XLogP0.41
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate with MolForge

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Related Compounds

methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
CID 25225123
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
methyl 3-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-2-hydroxy-4-phenylbutanoate
CID 146222506
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;hydrochloride
CID 162478934
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
CID 143152114
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 166247442
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
CID 70412443
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate (CID 162479074) is methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate is COC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate?
The InChIKey is JYSBWUWKCMHLAB-STQMWFEESA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-15(20)13(9-11-4-2-3-7-17-11)18-14(19)12(16)8-10-5-6-10/h2-4,7,10,12-13H,5-6,8-9,16H2,1H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate?
methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate has a molecular weight of 291.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 162479074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).