4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid

C7H13N3O4 — CID 61156639

IUPAC4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
SMILESC[C@H](N)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t3-,4?/m0/s1
InChIKeyCCUAQNUWXLYFRA-WUCPZUCCSA-N
MW203.20 g/mol
LogP-2.22
Rot. Bonds5

About 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid

4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid (PubChem CID 61156639) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
PubChem CID61156639
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
SMILESC[C@H](N)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t3-,4?/m0/s1
InChIKeyCCUAQNUWXLYFRA-WUCPZUCCSA-N
XLogP-2.22
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid
CID 18233436
4-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 18218507
4-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 18239251
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18233689
2-[[4-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 18233425
4-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid
CID 18238612
2-[[4-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 18234616
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 145453522
(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid
CID 107824629
6-amino-2-[[4-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
CID 18233426
6-amino-2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 18218297
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
CID 18233439

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid (CID 61156639) is 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid is C[C@H](N)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
The InChIKey is CCUAQNUWXLYFRA-WUCPZUCCSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t3-,4?/m0/s1.
What are the key properties of 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid has a molecular weight of 203.20 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 61156639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).