(6S)-6-aminoheptanoic acid

C7H15NO2 — CID 54134193

IUPAC(6S)-6-aminoheptanoic acid
SMILESC[C@H](N)CCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyNWMZFMZOYYFQKQ-LURJTMIESA-N
MW145.20 g/mol
LogP0.98
Rot. Bonds5

About (6S)-6-aminoheptanoic acid

(6S)-6-aminoheptanoic acid (PubChem CID 54134193) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (6S)-6-aminoheptanoic acid.

Molecular Properties

Compound Name(6S)-6-aminoheptanoic acid
PubChem CID54134193
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(6S)-6-aminoheptanoic acid
SMILESC[C@H](N)CCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyNWMZFMZOYYFQKQ-LURJTMIESA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.98
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

14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
bis(hexan-2-amine);hexanedioic acid
CID 174667104
sodium;hydride;6-methylheptanoic acid
CID 174475906
6,12-diaminoheptadecanedioic acid
CID 23455605
4-aminopentanoic acid;ethane
CID 143436801
7-amino-6-methyloctanoic acid;chloromethane
CID 175463739
λ2-plumbane;6-methylheptanoic acid
CID 175289081
6-methylheptanoic acid;vanadium
CID 174623955
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
5-aminododecanedioic acid
CID 3835680

Frequently Asked Questions

What is the IUPAC name of (6S)-6-aminoheptanoic acid?
The IUPAC name of (6S)-6-aminoheptanoic acid (CID 54134193) is (6S)-6-aminoheptanoic acid.
What is the SMILES notation for (6S)-6-aminoheptanoic acid?
The canonical SMILES for (6S)-6-aminoheptanoic acid is C[C@H](N)CCCCC(=O)O.
What is the InChIKey of (6S)-6-aminoheptanoic acid?
The InChIKey is NWMZFMZOYYFQKQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (6S)-6-aminoheptanoic acid?
(6S)-6-aminoheptanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-aminoheptanoic acid is sourced from PubChem (CID 54134193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).