4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid

C12H23N3O4 — CID 122126162

IUPAC4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid
SMILESCCC[C@@H](NC(N)=O)C(=O)NCCC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-5-8(15-11(13)19)9(16)14-7-6-12(2,3)10(17)18/h8H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H3,13,15,19)/t8-/m1/s1
InChIKeyDSVFKYDSUXCDBD-MRVPVSSYSA-N
MW273.33 g/mol
LogP0.44
Rot. Bonds8

About 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid

4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid (PubChem CID 122126162) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid
PubChem CID122126162
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid
SMILESCCC[C@@H](NC(N)=O)C(=O)NCCC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-5-8(15-11(13)19)9(16)14-7-6-12(2,3)10(17)18/h8H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H3,13,15,19)/t8-/m1/s1
InChIKeyDSVFKYDSUXCDBD-MRVPVSSYSA-N
XLogP0.44
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide
CID 119497921
(2R)-2-(carbamoylamino)-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 94200506
4-(heptan-4-ylamino)-2,2-dimethylbutanoic acid
CID 122127141
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
4-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2,2-dimethylbutanoic acid
CID 114285759
(2R)-2-(carbamoylamino)-N-(2-piperidin-3-ylethyl)pentanamide;hydrochloride
CID 119557860
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
4-[(2,4-diamino-4-oxobutanoyl)amino]-2,2-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
CID 146381718
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid (CID 122126162) is 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid is CCC[C@@H](NC(N)=O)C(=O)NCCC(C)(C)C(=O)O.
What is the InChIKey of 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid?
The InChIKey is DSVFKYDSUXCDBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-5-8(15-11(13)19)9(16)14-7-6-12(2,3)10(17)18/h8H,4-7H2,1-3H3,(H,14,16)(H,17,18)(H3,13,15,19)/t8-/m1/s1.
What are the key properties of 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid?
4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122126162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).