(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid

C14H26N2O3 — CID 107414550

IUPAC(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCC1CCC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)6-12(13(17)18)16-14(19)15-8-11-5-4-10(3)7-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10?,11?,12-/m1/s1
InChIKeyFGEUNSCYVXLPSV-HTAVTVPLSA-N
MW270.37 g/mol
LogP2.22
Rot. Bonds6

About (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid

(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (PubChem CID 107414550) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
PubChem CID107414550
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCC1CCC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9(2)6-12(13(17)18)16-14(19)15-8-11-5-4-10(3)7-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10?,11?,12-/m1/s1
InChIKeyFGEUNSCYVXLPSV-HTAVTVPLSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
3-(1H-imidazol-5-yl)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107864299
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-2-[(4-methylcyclohexyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910301
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (CID 107414550) is (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is CC(C)C[C@@H](NC(=O)NCC1CCC(C)C1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is FGEUNSCYVXLPSV-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)6-12(13(17)18)16-14(19)15-8-11-5-4-10(3)7-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107414550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).