2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid

C13H24N2O3 — CID 107414476

IUPAC2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
SMILESCC1CCC(CNC(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-8-4-5-11(6-8)7-14-13(18)15-10(3)9(2)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyJUFCONIJMLNWIO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid

2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid (PubChem CID 107414476) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
PubChem CID107414476
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
SMILESCC1CCC(CNC(=O)NC(C)C(C)C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-8-4-5-11(6-8)7-14-13(18)15-10(3)9(2)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyJUFCONIJMLNWIO-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
2-methyl-3-(thiolan-3-ylmethylcarbamoylamino)butanoic acid
CID 107297388
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
2-methyl-3-[(4-methylcyclohexyl)methylamino]butanoic acid
CID 79398095
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
(3-methylcyclopentyl)methylurea
CID 20542807
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid (CID 107414476) is 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid is CC1CCC(CNC(=O)NC(C)C(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
The InChIKey is JUFCONIJMLNWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8-4-5-11(6-8)7-14-13(18)15-10(3)9(2)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107414476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).