5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid

C14H25N3O3 — CID 82014997

IUPAC5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H25N3O3/c1-10(2-5-13(18)19)8-15-14(20)16-11-6-7-17(9-11)12-3-4-12/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyJPWBGFBNYPWMSW-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.02
Rot. Bonds7

About 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid

5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 82014997) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
PubChem CID82014997
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H25N3O3/c1-10(2-5-13(18)19)8-15-14(20)16-11-6-7-17(9-11)12-3-4-12/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyJPWBGFBNYPWMSW-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid (CID 82014997) is 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)NC1CCN(C2CC2)C1.
What is the InChIKey of 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is JPWBGFBNYPWMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2-5-13(18)19)8-15-14(20)16-11-6-7-17(9-11)12-3-4-12/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid?
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82014997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).