(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid

C10H21N3O2 — CID 143018071

IUPAC(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid
SMILESCC(N)NCC/C=C\CC(C)(N)C(=O)O
InChIInChI=1S/C10H21N3O2/c1-8(11)13-7-5-3-4-6-10(2,12)9(14)15/h3-4,8,13H,5-7,11-12H2,1-2H3,(H,14,15)/b4-3-
InChIKeyNSSFYHXZQIJZHP-ARJAWSKDSA-N
MW215.30 g/mol
LogP0.02
Rot. Bonds7

About (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid

(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid (PubChem CID 143018071) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid
PubChem CID143018071
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid
SMILESCC(N)NCC/C=C\CC(C)(N)C(=O)O
InChIInChI=1S/C10H21N3O2/c1-8(11)13-7-5-3-4-6-10(2,12)9(14)15/h3-4,8,13H,5-7,11-12H2,1-2H3,(H,14,15)/b4-3-
InChIKeyNSSFYHXZQIJZHP-ARJAWSKDSA-N
XLogP0.02
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-methyldec-4-enoic acid
CID 87131405
(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
CID 159405333
(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane
CID 157301795
methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
CID 58606445
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
methyl 2-methyl-4-[[(E)-pent-3-enyl]amino]pentanoate
CID 104646363
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
CID 107755772

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid?
The IUPAC name of (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid (CID 143018071) is (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid.
What is the SMILES notation for (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid?
The canonical SMILES for (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid is CC(N)NCC/C=C\CC(C)(N)C(=O)O.
What is the InChIKey of (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid?
The InChIKey is NSSFYHXZQIJZHP-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(11)13-7-5-3-4-6-10(2,12)9(14)15/h3-4,8,13H,5-7,11-12H2,1-2H3,(H,14,15)/b4-3-.
What are the key properties of (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid?
(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid has a molecular weight of 215.30 g/mol, XLogP of 0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid is sourced from PubChem (CID 143018071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).