2-amino-4-hydroxy-4-propylheptanoic acid

C10H21NO3 — CID 14320933

IUPAC2-amino-4-hydroxy-4-propylheptanoic acid
SMILESCCCC(O)(CCC)CC(N)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-5-10(14,6-4-2)7-8(11)9(12)13/h8,14H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyHNDZCEMEHHOKCP-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.12
Rot. Bonds7

About 2-amino-4-hydroxy-4-propylheptanoic acid

2-amino-4-hydroxy-4-propylheptanoic acid (PubChem CID 14320933) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-amino-4-hydroxy-4-propylheptanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-4-propylheptanoic acid
PubChem CID14320933
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-amino-4-hydroxy-4-propylheptanoic acid
SMILESCCCC(O)(CCC)CC(N)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-5-10(14,6-4-2)7-8(11)9(12)13/h8,14H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyHNDZCEMEHHOKCP-UHFFFAOYSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 129061110
(4S)-2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 167281606
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
2-amino-4,4-difluorooctanoic acid;hydrobromide
CID 140532073
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
(2S)-2-amino-4-methyl-4-nitropentanoic acid
CID 154154915

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-4-propylheptanoic acid?
The IUPAC name of 2-amino-4-hydroxy-4-propylheptanoic acid (CID 14320933) is 2-amino-4-hydroxy-4-propylheptanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-4-propylheptanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-4-propylheptanoic acid is CCCC(O)(CCC)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-4-propylheptanoic acid?
The InChIKey is HNDZCEMEHHOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-5-10(14,6-4-2)7-8(11)9(12)13/h8,14H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-hydroxy-4-propylheptanoic acid?
2-amino-4-hydroxy-4-propylheptanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-4-propylheptanoic acid is sourced from PubChem (CID 14320933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).