4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid

C11H21NO3 — CID 82770458

IUPAC4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
SMILESCCCN(CC(O)CC(=O)O)CC1CC1
InChIInChI=1S/C11H21NO3/c1-2-5-12(7-9-3-4-9)8-10(13)6-11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyKDTJPDSOKFLICS-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds8

About 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid

4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid (PubChem CID 82770458) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
PubChem CID82770458
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
SMILESCCCN(CC(O)CC(=O)O)CC1CC1
InChIInChI=1S/C11H21NO3/c1-2-5-12(7-9-3-4-9)8-10(13)6-11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyKDTJPDSOKFLICS-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
CID 82769678
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 115475061
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanehydrazide
CID 63584517
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid
CID 82778625
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 78782947
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid (CID 82770458) is 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid is CCCN(CC(O)CC(=O)O)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid?
The InChIKey is KDTJPDSOKFLICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-5-12(7-9-3-4-9)8-10(13)6-11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid?
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82770458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).