(3R)-3-(carbamoylamino)-4-methylpentanoic acid

C7H14N2O3 — CID 135070529

IUPAC(3R)-3-(carbamoylamino)-4-methylpentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)NC(N)=O
InChIInChI=1S/C7H14N2O3/c1-4(2)5(3-6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)/t5-/m1/s1
InChIKeyXKEGYPXXZJDPGV-RXMQYKEDSA-N
MW174.20 g/mol
LogP0.15
Rot. Bonds4

About (3R)-3-(carbamoylamino)-4-methylpentanoic acid

(3R)-3-(carbamoylamino)-4-methylpentanoic acid (PubChem CID 135070529) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-4-methylpentanoic acid
PubChem CID135070529
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3R)-3-(carbamoylamino)-4-methylpentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)NC(N)=O
InChIInChI=1S/C7H14N2O3/c1-4(2)5(3-6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)/t5-/m1/s1
InChIKeyXKEGYPXXZJDPGV-RXMQYKEDSA-N
XLogP0.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-4-methylpentanoic acid?
The IUPAC name of (3R)-3-(carbamoylamino)-4-methylpentanoic acid (CID 135070529) is (3R)-3-(carbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (3R)-3-(carbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (3R)-3-(carbamoylamino)-4-methylpentanoic acid is CC(C)[C@@H](CC(=O)O)NC(N)=O.
What is the InChIKey of (3R)-3-(carbamoylamino)-4-methylpentanoic acid?
The InChIKey is XKEGYPXXZJDPGV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(2)5(3-6(10)11)9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)/t5-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-4-methylpentanoic acid?
(3R)-3-(carbamoylamino)-4-methylpentanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 135070529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).