2-[cyclopropyl(propyl)amino]propanoic acid

C9H17NO2 — CID 43270597

IUPAC2-[cyclopropyl(propyl)amino]propanoic acid
SMILESCCCN(C1CC1)C(C)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-6-10(8-4-5-8)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyKJJDRAMWKMZQMC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.33
Rot. Bonds5

About 2-[cyclopropyl(propyl)amino]propanoic acid

2-[cyclopropyl(propyl)amino]propanoic acid (PubChem CID 43270597) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]propanoic acid
PubChem CID43270597
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[cyclopropyl(propyl)amino]propanoic acid
SMILESCCCN(C1CC1)C(C)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-6-10(8-4-5-8)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyKJJDRAMWKMZQMC-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 122083036
2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
CID 79112315
2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
CID 122082922
2-[cyclopropyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]propanoic acid
CID 122083156
2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 122083006
2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid
CID 122100553
2-[(4-aminocyclohexyl)-propylamino]-N-cyclopentylpropanamide
CID 79117291
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[butyl(cyclopropyl)amino]butanoic acid
CID 61441768

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(propyl)amino]propanoic acid (CID 43270597) is 2-[cyclopropyl(propyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]propanoic acid is CCCN(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]propanoic acid?
The InChIKey is KJJDRAMWKMZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-10(8-4-5-8)7(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[cyclopropyl(propyl)amino]propanoic acid?
2-[cyclopropyl(propyl)amino]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]propanoic acid is sourced from PubChem (CID 43270597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).