7-acetamido-2-amino-2-methylhept-5-ynoic acid

C10H16N2O3 — CID 72620891

IUPAC7-acetamido-2-amino-2-methylhept-5-ynoic acid
SMILESCC(=O)NCC#CCCC(C)(N)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-8(13)12-7-5-3-4-6-10(2,11)9(14)15/h4,6-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGNEJAJCHLBRZJP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.29
Rot. Bonds4

About 7-acetamido-2-amino-2-methylhept-5-ynoic acid

7-acetamido-2-amino-2-methylhept-5-ynoic acid (PubChem CID 72620891) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-acetamido-2-amino-2-methylhept-5-ynoic acid.

Molecular Properties

Compound Name7-acetamido-2-amino-2-methylhept-5-ynoic acid
PubChem CID72620891
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name7-acetamido-2-amino-2-methylhept-5-ynoic acid
SMILESCC(=O)NCC#CCCC(C)(N)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-8(13)12-7-5-3-4-6-10(2,11)9(14)15/h4,6-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGNEJAJCHLBRZJP-UHFFFAOYSA-N
XLogP-0.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
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CID 137350215
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid chloride
CID 53313139
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
2,8-diamino-2-methyloctanoic acid
CID 87814639
2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid
CID 12072044
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-amino-2-methylhept-5-ynoic acid?
The IUPAC name of 7-acetamido-2-amino-2-methylhept-5-ynoic acid (CID 72620891) is 7-acetamido-2-amino-2-methylhept-5-ynoic acid.
What is the SMILES notation for 7-acetamido-2-amino-2-methylhept-5-ynoic acid?
The canonical SMILES for 7-acetamido-2-amino-2-methylhept-5-ynoic acid is CC(=O)NCC#CCCC(C)(N)C(=O)O.
What is the InChIKey of 7-acetamido-2-amino-2-methylhept-5-ynoic acid?
The InChIKey is GNEJAJCHLBRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(13)12-7-5-3-4-6-10(2,11)9(14)15/h4,6-7,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 7-acetamido-2-amino-2-methylhept-5-ynoic acid?
7-acetamido-2-amino-2-methylhept-5-ynoic acid has a molecular weight of 212.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-amino-2-methylhept-5-ynoic acid is sourced from PubChem (CID 72620891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).