4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid

C10H17NO3 — CID 43270140

IUPAC4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(C(=O)CCC(=O)O)C1CC1
InChIInChI=1S/C10H17NO3/c1-2-7-11(8-3-4-8)9(12)5-6-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyASBDRHXARAZFLR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.25
Rot. Bonds6

About 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid

4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid (PubChem CID 43270140) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
PubChem CID43270140
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(C(=O)CCC(=O)O)C1CC1
InChIInChI=1S/C10H17NO3/c1-2-7-11(8-3-4-8)9(12)5-6-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyASBDRHXARAZFLR-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569015
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
CID 115730536
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
N-cyclopropyl-N-propylcarbamoyl bromide
CID 140982146
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
CID 61160293
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid (CID 43270140) is 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid is CCCN(C(=O)CCC(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid?
The InChIKey is ASBDRHXARAZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-7-11(8-3-4-8)9(12)5-6-10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid?
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43270140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).