(2R)-2-[(1R)-1-aminopropyl]heptanoic acid

C10H21NO2 — CID 118230751

IUPAC(2R)-2-[(1R)-1-aminopropyl]heptanoic acid
SMILESCCCCCC(C(=O)O)[C@H](N)CC
InChIInChI=1S/C10H21NO2/c1-3-5-6-7-8(10(12)13)9(11)4-2/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyNCIQLPXFRWLNRN-YGPZHTELSA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds7

About (2R)-2-[(1R)-1-aminopropyl]heptanoic acid

(2R)-2-[(1R)-1-aminopropyl]heptanoic acid (PubChem CID 118230751) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-aminopropyl]heptanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-aminopropyl]heptanoic acid
PubChem CID118230751
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R)-2-[(1R)-1-aminopropyl]heptanoic acid
SMILESCCCCCC(C(=O)O)[C@H](N)CC
InChIInChI=1S/C10H21NO2/c1-3-5-6-7-8(10(12)13)9(11)4-2/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyNCIQLPXFRWLNRN-YGPZHTELSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.00
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

2-[(1S)-1-aminopropyl]decanamide
CID 89316918
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2,3-di(icosyl)butanedioic acid
CID 140519407
2-ethyl-3-hydroxyoctanoic acid
CID 22508303
2-(1-hydroxyethyl)nonanoic acid
CID 87790479
3-hydroxy-2-octyldodecanoic acid
CID 86181750
(2R,3S)-2-dodecyl-3-hydroxyhexadecanoic acid
CID 129320456
2-butan-2-ylpentadecanoic acid
CID 87442316
3-hexadecyl-2-tetradecylicosanoic acid
CID 87374965
2-octadecan-9-ylhexadecanoic acid
CID 87963385
2-octadecan-7-ylhexadecanoic acid
CID 57023250
2-icosan-9-ylhexadecanoic acid
CID 87113563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-aminopropyl]heptanoic acid?
The IUPAC name of (2R)-2-[(1R)-1-aminopropyl]heptanoic acid (CID 118230751) is (2R)-2-[(1R)-1-aminopropyl]heptanoic acid.
What is the SMILES notation for (2R)-2-[(1R)-1-aminopropyl]heptanoic acid?
The canonical SMILES for (2R)-2-[(1R)-1-aminopropyl]heptanoic acid is CCCCCC(C(=O)O)[C@H](N)CC.
What is the InChIKey of (2R)-2-[(1R)-1-aminopropyl]heptanoic acid?
The InChIKey is NCIQLPXFRWLNRN-YGPZHTELSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-7-8(10(12)13)9(11)4-2/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-aminopropyl]heptanoic acid?
(2R)-2-[(1R)-1-aminopropyl]heptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-aminopropyl]heptanoic acid is sourced from PubChem (CID 118230751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).