2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid

C14H25N3O4 — CID 82765494

IUPAC2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCC(C)C(NC(N)=O)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-8(2)10(17-13(15)21)11(18)16-9-6-5-7-14(9,3)12(19)20/h8-10H,4-7H2,1-3H3,(H,16,18)(H,19,20)(H3,15,17,21)
InChIKeyQIGOYPCBSBLCNL-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.83
Rot. Bonds6

About 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82765494) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82765494
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCC(C)C(NC(N)=O)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-8(2)10(17-13(15)21)11(18)16-9-6-5-7-14(9,3)12(19)20/h8-10H,4-7H2,1-3H3,(H,16,18)(H,19,20)(H3,15,17,21)
InChIKeyQIGOYPCBSBLCNL-UHFFFAOYSA-N
XLogP0.83
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82765494) is 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CCC(C)C(NC(N)=O)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is QIGOYPCBSBLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-8(2)10(17-13(15)21)11(18)16-9-6-5-7-14(9,3)12(19)20/h8-10H,4-7H2,1-3H3,(H,16,18)(H,19,20)(H3,15,17,21).
What are the key properties of 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).