(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid

C6H11N3O4 — CID 54163471

IUPAC(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C6H11N3O4/c7-3(1-2-4(10)11)5(12)9-6(8)13/h3H,1-2,7H2,(H,10,11)(H3,8,9,12,13)/t3-/m0/s1
InChIKeyOQANFUSTPBLEPW-VKHMYHEASA-N
MW189.17 g/mol
LogP-1.63
Rot. Bonds4

About (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid

(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid (PubChem CID 54163471) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
PubChem CID54163471
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C6H11N3O4/c7-3(1-2-4(10)11)5(12)9-6(8)13/h3H,1-2,7H2,(H,10,11)(H3,8,9,12,13)/t3-/m0/s1
InChIKeyOQANFUSTPBLEPW-VKHMYHEASA-N
XLogP-1.63
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
CID 137467884
(2R)-2-amino-N-carbamoylpentanamide
CID 107570048
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-5-(methylsulfanylamino)-5-oxopentanoic acid
CID 123930229
2-amino-N-carbamoylbutanediamide
CID 79194218
(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid
CID 23621315
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid (CID 54163471) is (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid is NC(=O)NC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid?
The InChIKey is OQANFUSTPBLEPW-VKHMYHEASA-N. The full InChI is InChI=1S/C6H11N3O4/c7-3(1-2-4(10)11)5(12)9-6(8)13/h3H,1-2,7H2,(H,10,11)(H3,8,9,12,13)/t3-/m0/s1.
What are the key properties of (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid?
(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid has a molecular weight of 189.17 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 54163471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).