4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid

C9H17N3O4 — CID 103868880

IUPAC4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
SMILESCCC[C@@H](N)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-2-3-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t5-,6?/m1/s1
InChIKeyDPYNNIIIOHPERA-LWOQYNTDSA-N
MW231.25 g/mol
LogP-1.44
Rot. Bonds7

About 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid

4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid (PubChem CID 103868880) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
PubChem CID103868880
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
SMILESCCC[C@@H](N)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-2-3-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t5-,6?/m1/s1
InChIKeyDPYNNIIIOHPERA-LWOQYNTDSA-N
XLogP-1.44
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 14767397
(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 90954445
(2R)-4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 107824480
4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 55080631
4-amino-2-(2,6-diaminohexanoylamino)-4-oxobutanoic acid
CID 18218223
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 25002196

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid (CID 103868880) is 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid is CCC[C@@H](N)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid?
The InChIKey is DPYNNIIIOHPERA-LWOQYNTDSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-2-3-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)/t5-,6?/m1/s1.
What are the key properties of 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 103868880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).