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

C14H26N2O3 — CID 107419825

IUPAC(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)NCC1CCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-8-11-7-5-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9?,10?,11?,12-/m0/s1
InChIKeyICOCKZNYIOHWMC-ROAFRPBMSA-N
MW270.37 g/mol
LogP2.22
Rot. Bonds6

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

(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (PubChem CID 107419825) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
PubChem CID107419825
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)NCC1CCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-8-11-7-5-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9?,10?,11?,12-/m0/s1
InChIKeyICOCKZNYIOHWMC-ROAFRPBMSA-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)-3-methylpentanoic acid
CID 61180924
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175072
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
(2S,3S)-3-methyl-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 63705569
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107829563
(2S,3S)-3-methyl-2-(thian-2-ylmethylcarbamoylamino)pentanoic acid
CID 80612091
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
3-methyl-2-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297553
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (CID 107419825) is (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is CCC(C)[C@H](NC(=O)NCC1CCCC1C)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is ICOCKZNYIOHWMC-ROAFRPBMSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-8-11-7-5-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
(2S)-3-methyl-2-[(2-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 (2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107419825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).