(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid

C13H23N3O4 — CID 79401644

IUPAC(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)7-10(12(18)19)16-13(20)14-6-5-11(17)15-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)/t10-/m1/s1
InChIKeyARJSKCLXHPZPTO-SNVBAGLBSA-N
MW285.34 g/mol
LogP0.45
Rot. Bonds8

About (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid

(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 79401644) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID79401644
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)7-10(12(18)19)16-13(20)14-6-5-11(17)15-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)/t10-/m1/s1
InChIKeyARJSKCLXHPZPTO-SNVBAGLBSA-N
XLogP0.45
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 79401646
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 79400813
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62978014
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2S)-4-methyl-2-[(4-methyl-3-oxopent-4-enyl)carbamoylamino]pentanoic acid
CID 139803184
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid (CID 79401644) is (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is ARJSKCLXHPZPTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)7-10(12(18)19)16-13(20)14-6-5-11(17)15-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid?
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 79401644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).