2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid

C6H13N3O3 — CID 46932128

IUPAC2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
SMILES[2H]C([2H])(CCC(N)C(=O)O)NC(N)=O
InChIInChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/i3D2
InChIKeyRHGKLRLOHDJJDR-SMZGMGDZSA-N
MW177.20 g/mol
LogP-1.15
Rot. Bonds5

About 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid

2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid (PubChem CID 46932128) has the molecular formula C6H13N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
PubChem CID46932128
Molecular FormulaC6H13N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
SMILES[2H]C([2H])(CCC(N)C(=O)O)NC(N)=O
InChIInChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/i3D2
InChIKeyRHGKLRLOHDJJDR-SMZGMGDZSA-N
XLogP-1.15
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
(2S)-2-amino-5-(carbamoylamino)-4,4-dideuteriopentanoic acid
CID 123785846
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
(2S)-2,6-diamino-5-deuteriohexanoic acid
CID 175781409
bis(2-amino-5-(carbamoylamino)pentanoic acid);2-hydroxybutanedioic acid
CID 46189968
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid?
The IUPAC name of 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid (CID 46932128) is 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid.
What is the SMILES notation for 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid?
The canonical SMILES for 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid is [2H]C([2H])(CCC(N)C(=O)O)NC(N)=O.
What is the InChIKey of 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid?
The InChIKey is RHGKLRLOHDJJDR-SMZGMGDZSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/i3D2.
What are the key properties of 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid?
2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid has a molecular weight of 177.20 g/mol, XLogP of -1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid is sourced from PubChem (CID 46932128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).