4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid

C16H30N6O4 — CID 18795128

IUPAC4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid
SMILESCC(C)(/N=N/C(C)(C)/C(N)=N/CCCC(=O)O)/C(N)=N/CCCC(=O)O
InChIInChI=1S/C16H30N6O4/c1-15(2,13(17)19-9-5-7-11(23)24)21-22-16(3,4)14(18)20-10-6-8-12(25)26/h5-10H2,1-4H3,(H2,17,19)(H2,18,20)(H,23,24)(H,25,26)/b22-21+
InChIKeyLHZDAXHOSBYRCC-QURGRASLSA-N
MW370.45 g/mol
LogP1.44
Rot. Bonds12

About 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid

4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid (PubChem CID 18795128) has the molecular formula C16H30N6O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid
PubChem CID18795128
Molecular FormulaC16H30N6O4
Molecular Weight370.45 g/mol
Exact Mass370.23
IUPAC Name4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid
SMILESCC(C)(/N=N/C(C)(C)/C(N)=N/CCCC(=O)O)/C(N)=N/CCCC(=O)O
InChIInChI=1S/C16H30N6O4/c1-15(2,13(17)19-9-5-7-11(23)24)21-22-16(3,4)14(18)20-10-6-8-12(25)26/h5-10H2,1-4H3,(H2,17,19)(H2,18,20)(H,23,24)(H,25,26)/b22-21+
InChIKeyLHZDAXHOSBYRCC-QURGRASLSA-N
XLogP1.44
TPSA176.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
CID 18769831
4-aminobutanoic acid;2-chloro-2-methylpropane
CID 155408574
2-butylguanidine;octadecanoic acid
CID 158758420
acetamide;pentanedioic acid
CID 160895913
chloromethane;pentanedioic acid
CID 159659659
4-aminobutanoic acid;urea
CID 87654258
9-bromononanoic acid;9-(diaminomethylideneamino)nonanoic acid
CID 158146578
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
CID 174613902
6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate
CID 87620190
24-amino-24-oxotetracosanoic acid
CID 139682769
ethanamine;hexanedioic acid
CID 173189130
4-aminobutanoic acid;dihydrochloride
CID 87111723

Frequently Asked Questions

What is the IUPAC name of 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid?
The IUPAC name of 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid (CID 18795128) is 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid.
What is the SMILES notation for 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid?
The canonical SMILES for 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid is CC(C)(/N=N/C(C)(C)/C(N)=N/CCCC(=O)O)/C(N)=N/CCCC(=O)O.
What is the InChIKey of 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid?
The InChIKey is LHZDAXHOSBYRCC-QURGRASLSA-N. The full InChI is InChI=1S/C16H30N6O4/c1-15(2,13(17)19-9-5-7-11(23)24)21-22-16(3,4)14(18)20-10-6-8-12(25)26/h5-10H2,1-4H3,(H2,17,19)(H2,18,20)(H,23,24)(H,25,26)/b22-21+.
What are the key properties of 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid?
4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid has a molecular weight of 370.45 g/mol, XLogP of 1.44, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-amino-2-[[1-amino-1-(3-carboxypropylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]butanoic acid is sourced from PubChem (CID 18795128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).