methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate

C6H14N4O2 — CID 90213735

IUPACmethyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate
SMILESCOC(=O)/C(N)=C/N(N)CCN
InChIInChI=1S/C6H14N4O2/c1-12-6(11)5(8)4-10(9)3-2-7/h4H,2-3,7-9H2,1H3/b5-4-
InChIKeyUJXVOWLRLULDMF-PLNGDYQASA-N
MW174.20 g/mol
LogP-1.91
Rot. Bonds4

About methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate

methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate (PubChem CID 90213735) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate
PubChem CID90213735
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Namemethyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate
SMILESCOC(=O)/C(N)=C/N(N)CCN
InChIInChI=1S/C6H14N4O2/c1-12-6(11)5(8)4-10(9)3-2-7/h4H,2-3,7-9H2,1H3/b5-4-
InChIKeyUJXVOWLRLULDMF-PLNGDYQASA-N
XLogP-1.91
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate
CID 167474146
methyl (E)-2-aminobut-2-enoate
CID 19894054
3-amino-4-methoxy-4-oxobut-2-enoic acid
CID 149437355
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dimethyl 2-methylidenebutanedioate
CID 131738461
methyl 2-(2-aminoethyl)but-2-enoate
CID 57312138
methyl 5-amino-2-methylpent-2-enoate
CID 57069789
amino(2-aminoethyl)carbamic acid
CID 142575644
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
methyl (Z)-2-amino-4-iminobut-2-enoate
CID 144672680
methyl 6-amino-2,3-dimethylhex-2-enoate
CID 57195661
dimethyl oxalate
CID 11120

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate?
The IUPAC name of methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate (CID 90213735) is methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate is COC(=O)/C(N)=C/N(N)CCN.
What is the InChIKey of methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate?
The InChIKey is UJXVOWLRLULDMF-PLNGDYQASA-N. The full InChI is InChI=1S/C6H14N4O2/c1-12-6(11)5(8)4-10(9)3-2-7/h4H,2-3,7-9H2,1H3/b5-4-.
What are the key properties of methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate?
methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of -1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-3-[amino(2-aminoethyl)amino]prop-2-enoate is sourced from PubChem (CID 90213735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).