2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid

C14H24N2O3 — CID 113364459

IUPAC2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCC1(C2CC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9(2)7-11(12(17)18)16-13(19)15-8-14(5-6-14)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHLZXMDKWFPMZJX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds7

About 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid

2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 113364459) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID113364459
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCC1(C2CC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9(2)7-11(12(17)18)16-13(19)15-8-14(5-6-14)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHLZXMDKWFPMZJX-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 114096668
(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 63830703
(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 114096697
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
2-amino-N-[(1-cyclopropylcyclopropyl)methyl]propanamide
CID 103950896
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62978014
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid (CID 113364459) is 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)NCC1(C2CC2)CC1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is HLZXMDKWFPMZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)7-11(12(17)18)16-13(19)15-8-14(5-6-14)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid?
2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 113364459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).