5-(2-cyclopropylpropanoylamino)pentanoic acid

C11H19NO3 — CID 83146562

IUPAC5-(2-cyclopropylpropanoylamino)pentanoic acid
SMILESCC(C(=O)NCCCCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-8(9-5-6-9)11(15)12-7-3-2-4-10(13)14/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyQOVCQNYVIYUNQT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds7

About 5-(2-cyclopropylpropanoylamino)pentanoic acid

5-(2-cyclopropylpropanoylamino)pentanoic acid (PubChem CID 83146562) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2-cyclopropylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-cyclopropylpropanoylamino)pentanoic acid
PubChem CID83146562
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(2-cyclopropylpropanoylamino)pentanoic acid
SMILESCC(C(=O)NCCCCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-8(9-5-6-9)11(15)12-7-3-2-4-10(13)14/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyQOVCQNYVIYUNQT-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
CID 61197551
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
CID 120513465
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-butyl-2-cyclopentylpropanamide
CID 173178636
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpropanoylamino)pentanoic acid?
The IUPAC name of 5-(2-cyclopropylpropanoylamino)pentanoic acid (CID 83146562) is 5-(2-cyclopropylpropanoylamino)pentanoic acid.
What is the SMILES notation for 5-(2-cyclopropylpropanoylamino)pentanoic acid?
The canonical SMILES for 5-(2-cyclopropylpropanoylamino)pentanoic acid is CC(C(=O)NCCCCC(=O)O)C1CC1.
What is the InChIKey of 5-(2-cyclopropylpropanoylamino)pentanoic acid?
The InChIKey is QOVCQNYVIYUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(9-5-6-9)11(15)12-7-3-2-4-10(13)14/h8-9H,2-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-(2-cyclopropylpropanoylamino)pentanoic acid?
5-(2-cyclopropylpropanoylamino)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpropanoylamino)pentanoic acid is sourced from PubChem (CID 83146562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).