2-amino-2-(1-ethylazepan-4-yl)acetic acid

C10H20N2O2 — CID 84669559

IUPAC2-amino-2-(1-ethylazepan-4-yl)acetic acid
SMILESCCN1CCCC(C(N)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-12-6-3-4-8(5-7-12)9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyXUFWNKDDEUDKSU-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.52
Rot. Bonds3

About 2-amino-2-(1-ethylazepan-4-yl)acetic acid

2-amino-2-(1-ethylazepan-4-yl)acetic acid (PubChem CID 84669559) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-2-(1-ethylazepan-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethylazepan-4-yl)acetic acid
PubChem CID84669559
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-2-(1-ethylazepan-4-yl)acetic acid
SMILESCCN1CCCC(C(N)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-2-12-6-3-4-8(5-7-12)9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyXUFWNKDDEUDKSU-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
CID 105443609
2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
CID 157474717
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
3-(cyclopentylamino)-2-(1-ethylpiperidin-4-yl)propanoic acid
CID 117239526
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
CID 174577281
methyl (2S)-2-[(1-ethylazepan-4-yl)amino]propanoate
CID 65074522
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
CID 83983047
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982741

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethylazepan-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethylazepan-4-yl)acetic acid (CID 84669559) is 2-amino-2-(1-ethylazepan-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethylazepan-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethylazepan-4-yl)acetic acid is CCN1CCCC(C(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-(1-ethylazepan-4-yl)acetic acid?
The InChIKey is XUFWNKDDEUDKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-12-6-3-4-8(5-7-12)9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(1-ethylazepan-4-yl)acetic acid?
2-amino-2-(1-ethylazepan-4-yl)acetic acid has a molecular weight of 200.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethylazepan-4-yl)acetic acid is sourced from PubChem (CID 84669559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).