(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid

C12H24N2O3 — CID 87609363

IUPAC(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid
SMILESCCCCC(C)C[C@@H](CC(=O)O)NC(=O)CN
InChIInChI=1S/C12H24N2O3/c1-3-4-5-9(2)6-10(7-12(16)17)14-11(15)8-13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
InChIKeyRZPZZBKRDQOHHV-AXDSSHIGSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds9

About (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid

(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid (PubChem CID 87609363) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid.

Molecular Properties

Compound Name(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid
PubChem CID87609363
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid
SMILESCCCCC(C)C[C@@H](CC(=O)O)NC(=O)CN
InChIInChI=1S/C12H24N2O3/c1-3-4-5-9(2)6-10(7-12(16)17)14-11(15)8-13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
InChIKeyRZPZZBKRDQOHHV-AXDSSHIGSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
CID 87481836
3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid
CID 173182030
(3R)-3-(decanoylamino)-5-methylhexanoic acid
CID 10380017
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylnonanoic acid
CID 87608945
3-methyloctanoic acid
CID 5312327
5-methyl-3-[[(1S)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]octanoic acid
CID 87295700
10-butyl-3-hexyl-5-methyltetradecanedioic acid
CID 87184650
(3S)-3-methylhexadecanoic acid
CID 54227409

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid?
The IUPAC name of (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid (CID 87609363) is (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid.
What is the SMILES notation for (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid?
The canonical SMILES for (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid is CCCCC(C)C[C@@H](CC(=O)O)NC(=O)CN.
What is the InChIKey of (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid?
The InChIKey is RZPZZBKRDQOHHV-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-5-9(2)6-10(7-12(16)17)14-11(15)8-13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid?
(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid is sourced from PubChem (CID 87609363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).