(6S)-6-amino-5-oxoheptanoic acid

C7H13NO3 — CID 159323155

IUPAC(6S)-6-amino-5-oxoheptanoic acid
SMILESC[C@H](N)C(=O)CCCC(=O)O
InChIInChI=1S/C7H13NO3/c1-5(8)6(9)3-2-4-7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyGCBNIAVOAZRNFO-YFKPBYRVSA-N
MW159.18 g/mol
LogP0.16
Rot. Bonds5

About (6S)-6-amino-5-oxoheptanoic acid

(6S)-6-amino-5-oxoheptanoic acid (PubChem CID 159323155) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (6S)-6-amino-5-oxoheptanoic acid.

Molecular Properties

Compound Name(6S)-6-amino-5-oxoheptanoic acid
PubChem CID159323155
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(6S)-6-amino-5-oxoheptanoic acid
SMILESC[C@H](N)C(=O)CCCC(=O)O
InChIInChI=1S/C7H13NO3/c1-5(8)6(9)3-2-4-7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyGCBNIAVOAZRNFO-YFKPBYRVSA-N
XLogP0.16
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-8-amino-7-oxononanoic acid chloride
CID 91885982
4-amino-3-oxopentanoic acid
CID 134247354
(6S)-6-aminoheptanoic acid
CID 54134193
(2S)-2-aminopropanoic acid;decanoic acid
CID 89052337
ethane-1,1-diol;hexanedioic acid
CID 160553867
acetamide;pentanedioic acid
CID 160895913
hydrazine;pentanedioic acid;dihydrate
CID 172730564
chloromethane;pentanedioic acid
CID 159659659
2-(5-amino-4-oxohexyl)guanidine
CID 91573450
(2S)-2-amino-7-methylsulfonylheptan-3-one
CID 160620113
10-aminoundecanoic acid
CID 3771397
14-aminopentadecanoic acid
CID 87306551

Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-5-oxoheptanoic acid?
The IUPAC name of (6S)-6-amino-5-oxoheptanoic acid (CID 159323155) is (6S)-6-amino-5-oxoheptanoic acid.
What is the SMILES notation for (6S)-6-amino-5-oxoheptanoic acid?
The canonical SMILES for (6S)-6-amino-5-oxoheptanoic acid is C[C@H](N)C(=O)CCCC(=O)O.
What is the InChIKey of (6S)-6-amino-5-oxoheptanoic acid?
The InChIKey is GCBNIAVOAZRNFO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(8)6(9)3-2-4-7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (6S)-6-amino-5-oxoheptanoic acid?
(6S)-6-amino-5-oxoheptanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-5-oxoheptanoic acid is sourced from PubChem (CID 159323155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).