2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid

C11H20N2O3 — CID 5207596

IUPAC2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)9(10(14)15)13-11(16)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyVLRYCPMUJPANPV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds4

About 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid

2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 5207596) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
PubChem CID5207596
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)9(10(14)15)13-11(16)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyVLRYCPMUJPANPV-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(carbamoylamino)-3-methylbutanoic acid
CID 448879
4-Methyl-2-ureido-pentanoic acid
CID 458590
2-(Carbamoylamino)-3-methylbutanoic acid
CID 5151292
(S)-3-Methyl-2-[(4-methyl-piperidine-1-carbonyl)-amino]-pentanoic acid
CID 16682089
(2S)-2-(carbamoylamino)-4-methylpentanoic acid
CID 832265
(2S)-2-(carbamoylamino)-3-methylbutanoic acid
CID 854021
(S)-2-(3-isopropylureido)-4-methylpentanoic acid
CID 663650
(2S,3R)-2-(3-cyclopropylureido)-3-methylpentanoic acid
CID 663720
(S)-2-(3-Isopropyl-ureido)-3-methyl-pentanoic acid
CID 9550048
(2S)-2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
CID 664805
(R)-2-(3-Isobutyl-ureido)-4-methyl-pentanoic acid
CID 1854707
3-Methyl-2-ureido-pentanoic acid
CID 482886

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid (CID 5207596) is 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid is CC(C)C(NC(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is VLRYCPMUJPANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)9(10(14)15)13-11(16)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid?
2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 5207596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).