(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid

C12H26N2O2 — CID 56639407

IUPAC(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid
SMILESCCCC(CC)C(CN)CC[C@H](N)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-3-5-9(4-2)10(8-13)6-7-11(14)12(15)16/h9-11H,3-8,13-14H2,1-2H3,(H,15,16)/t9?,10?,11-/m0/s1
InChIKeyMPCCYSQHCYHEGG-ILDUYXDCSA-N
MW230.35 g/mol
LogP1.58
Rot. Bonds9

About (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid

(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid (PubChem CID 56639407) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid
PubChem CID56639407
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid
SMILESCCCC(CC)C(CN)CC[C@H](N)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-3-5-9(4-2)10(8-13)6-7-11(14)12(15)16/h9-11H,3-8,13-14H2,1-2H3,(H,15,16)/t9?,10?,11-/m0/s1
InChIKeyMPCCYSQHCYHEGG-ILDUYXDCSA-N
XLogP1.58
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S)-3-(aminomethyl)-2-methylhexanoic acid
CID 54232273
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
3-(aminomethyl)heptan-4-ol
CID 54499673
(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
4,5-diethyloctane
CID 519254
4-aminobutanoic acid;(2S)-2-aminopentanoic acid
CID 18598089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid?
The IUPAC name of (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid (CID 56639407) is (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid?
The canonical SMILES for (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid is CCCC(CC)C(CN)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid?
The InChIKey is MPCCYSQHCYHEGG-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-9(4-2)10(8-13)6-7-11(14)12(15)16/h9-11H,3-8,13-14H2,1-2H3,(H,15,16)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid?
(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid is sourced from PubChem (CID 56639407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).