(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid

C15H26N2O4 — CID 120614914

IUPAC(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-3-8-12(15(20)21)16-13(18)11-17-10-7-5-4-6-9-14(17)19/h12H,2-11H2,1H3,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeyRFPXVPHNZAKSEV-LBPRGKRZSA-N
MW298.38 g/mol
LogP1.54
Rot. Bonds7

About (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid

(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid (PubChem CID 120614914) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid
PubChem CID120614914
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-3-8-12(15(20)21)16-13(18)11-17-10-7-5-4-6-9-14(17)19/h12H,2-11H2,1H3,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeyRFPXVPHNZAKSEV-LBPRGKRZSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-oxoazocan-1-yl)acetyl]amino]butanoic acid
CID 119223622
(2S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanedioic acid
CID 61151877
N-(1-aminohexan-2-yl)-2-(2-oxopiperidin-1-yl)acetamide;hydrochloride
CID 119667628
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
(2S)-2-[[2-(2,4-dioxoimidazolidin-1-yl)acetyl]amino]hexanoic acid
CID 120615088
2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697
(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
CID 61172549
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
CID 82009294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid (CID 120614914) is (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is RFPXVPHNZAKSEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-3-8-12(15(20)21)16-13(18)11-17-10-7-5-4-6-9-14(17)19/h12H,2-11H2,1H3,(H,16,18)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 120614914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).