(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid

C8H16N2O4 — CID 106113366

IUPAC(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
SMILESCC[C@H](NC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-3-5(8(12)13)10-7(11)6(4-9)14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1
InChIKeyOUDMFCHUGXRUOT-ZBHICJROSA-N
MW204.23 g/mol
LogP-1.06
Rot. Bonds6

About (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid

(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid (PubChem CID 106113366) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
PubChem CID106113366
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
SMILESCC[C@H](NC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-3-5(8(12)13)10-7(11)6(4-9)14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1
InChIKeyOUDMFCHUGXRUOT-ZBHICJROSA-N
XLogP-1.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 114145147
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904
2-[(2-amino-1-methoxyethyl)amino]butanoic acid
CID 174519980
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
3-amino-4-(1-carboxypropylamino)-4-oxobutanoic acid
CID 64895943
3-amino-2-methoxy-N-propylsulfonylpropanamide
CID 106114069
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid?
The IUPAC name of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid (CID 106113366) is (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid is CC[C@H](NC(=O)C(CN)OC)C(=O)O.
What is the InChIKey of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid?
The InChIKey is OUDMFCHUGXRUOT-ZBHICJROSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-5(8(12)13)10-7(11)6(4-9)14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid?
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid is sourced from PubChem (CID 106113366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).