(5S)-5-amino-7-methyloctanoic acid

C9H19NO2 — CID 178163139

IUPAC(5S)-5-amino-7-methyloctanoic acid
SMILESCC(C)C[C@@H](N)CCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)6-8(10)4-3-5-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyYGGIYMYJEQAKIP-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.61
Rot. Bonds6

About (5S)-5-amino-7-methyloctanoic acid

(5S)-5-amino-7-methyloctanoic acid (PubChem CID 178163139) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (5S)-5-amino-7-methyloctanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-7-methyloctanoic acid
PubChem CID178163139
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(5S)-5-amino-7-methyloctanoic acid
SMILESCC(C)C[C@@H](N)CCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-7(2)6-8(10)4-3-5-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyYGGIYMYJEQAKIP-QMMMGPOBSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
5-aminododecanedioic acid
CID 3835680
6,12-diaminoheptadecanedioic acid
CID 23455605
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
16-methylheptadecanoic acid
CID 87200881
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
(6S)-6-aminoheptanoic acid
CID 54134193
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-7-methyloctanoic acid?
The IUPAC name of (5S)-5-amino-7-methyloctanoic acid (CID 178163139) is (5S)-5-amino-7-methyloctanoic acid.
What is the SMILES notation for (5S)-5-amino-7-methyloctanoic acid?
The canonical SMILES for (5S)-5-amino-7-methyloctanoic acid is CC(C)C[C@@H](N)CCCC(=O)O.
What is the InChIKey of (5S)-5-amino-7-methyloctanoic acid?
The InChIKey is YGGIYMYJEQAKIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)6-8(10)4-3-5-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (5S)-5-amino-7-methyloctanoic acid?
(5S)-5-amino-7-methyloctanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-7-methyloctanoic acid is sourced from PubChem (CID 178163139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).