(E)-2-amino-2-methylhept-3-enoic acid

C8H15NO2 — CID 87097454

IUPAC(E)-2-amino-2-methylhept-3-enoic acid
SMILESCCC/C=C/C(C)(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/b6-5+
InChIKeyZSHGIIPBZHUBSP-AATRIKPKSA-N
MW157.21 g/mol
LogP1.14
Rot. Bonds4

About (E)-2-amino-2-methylhept-3-enoic acid

(E)-2-amino-2-methylhept-3-enoic acid (PubChem CID 87097454) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-2-amino-2-methylhept-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-2-methylhept-3-enoic acid
PubChem CID87097454
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-2-amino-2-methylhept-3-enoic acid
SMILESCCC/C=C/C(C)(N)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/b6-5+
InChIKeyZSHGIIPBZHUBSP-AATRIKPKSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6-diamino-2-methylhex-3-enoic acid
CID 22630107
2,6-diamino-2-methylhex-3-enoic acid;dihydrochloride
CID 85044432
2-amino-2-pent-1-enylhept-3-enoic acid
CID 155213302
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
(E)-3,3-dimethyloct-4-enoic acid
CID 20576805
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
2-amino-2-methylpent-3-enoic acid
CID 85212787
ethyl (E)-2-hydroxy-3,3-dimethyloct-4-enoate
CID 23539728
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
(E)-2,2-dimethylhept-3-ene
CID 5352650
(E)-hex-2-enoic acid
CID 5282707
carbamic acid;(E)-hex-2-ene
CID 174912639

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-2-methylhept-3-enoic acid?
The IUPAC name of (E)-2-amino-2-methylhept-3-enoic acid (CID 87097454) is (E)-2-amino-2-methylhept-3-enoic acid.
What is the SMILES notation for (E)-2-amino-2-methylhept-3-enoic acid?
The canonical SMILES for (E)-2-amino-2-methylhept-3-enoic acid is CCC/C=C/C(C)(N)C(=O)O.
What is the InChIKey of (E)-2-amino-2-methylhept-3-enoic acid?
The InChIKey is ZSHGIIPBZHUBSP-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)/b6-5+.
What are the key properties of (E)-2-amino-2-methylhept-3-enoic acid?
(E)-2-amino-2-methylhept-3-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-2-methylhept-3-enoic acid is sourced from PubChem (CID 87097454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).