2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid

C14H26N2O3 — CID 63994181

IUPAC2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
SMILESCCC(CC1CC1)NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-11(8-10-5-6-10)15-14(19)16-12(13(17)18)7-9(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyTWRJCNOILYFEFF-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.36
Rot. Bonds8

About 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid

2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 63994181) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
PubChem CID63994181
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
SMILESCCC(CC1CC1)NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-11(8-10-5-6-10)15-14(19)16-12(13(17)18)7-9(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyTWRJCNOILYFEFF-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2R)-2-(hex-5-yn-3-ylcarbamoylamino)-4-methylpentanoic acid
CID 104864322
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 78976356
(2R)-4-methyl-2-(pent-1-yn-3-ylcarbamoylamino)pentanoic acid
CID 106232168
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid (CID 63994181) is 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid is CCC(CC1CC1)NC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is TWRJCNOILYFEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11(8-10-5-6-10)15-14(19)16-12(13(17)18)7-9(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid?
2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 63994181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).