amino(2-aminoethyl)carbamic acid

C3H9N3O2 — CID 142575644

IUPACamino(2-aminoethyl)carbamic acid
SMILESNCCN(N)C(=O)O
InChIInChI=1S/C3H9N3O2/c4-1-2-6(5)3(7)8/h1-2,4-5H2,(H,7,8)
InChIKeyZRBVZLPZXHHVHH-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.20
Rot. Bonds2

About amino(2-aminoethyl)carbamic acid

amino(2-aminoethyl)carbamic acid (PubChem CID 142575644) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is amino(2-aminoethyl)carbamic acid.

Molecular Properties

Compound Nameamino(2-aminoethyl)carbamic acid
PubChem CID142575644
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Nameamino(2-aminoethyl)carbamic acid
SMILESNCCN(N)C(=O)O
InChIInChI=1S/C3H9N3O2/c4-1-2-6(5)3(7)8/h1-2,4-5H2,(H,7,8)
InChIKeyZRBVZLPZXHHVHH-UHFFFAOYSA-N
XLogP-1.20
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[amino(carboxy)amino]propanoic acid
CID 123794055
2-aminoethyl(propan-2-yl)carbamic acid
CID 88850565
2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
amino(2-sulfanylideneethyl)carbamic acid
CID 87613112
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
6-aminohexyl(carboxy)carbamic acid
CID 175058839
N-(2-aminoethyl)-2,4,6-triiodobenzohydrazide
CID 70426906
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710

Frequently Asked Questions

What is the IUPAC name of amino(2-aminoethyl)carbamic acid?
The IUPAC name of amino(2-aminoethyl)carbamic acid (CID 142575644) is amino(2-aminoethyl)carbamic acid.
What is the SMILES notation for amino(2-aminoethyl)carbamic acid?
The canonical SMILES for amino(2-aminoethyl)carbamic acid is NCCN(N)C(=O)O.
What is the InChIKey of amino(2-aminoethyl)carbamic acid?
The InChIKey is ZRBVZLPZXHHVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c4-1-2-6(5)3(7)8/h1-2,4-5H2,(H,7,8).
What are the key properties of amino(2-aminoethyl)carbamic acid?
amino(2-aminoethyl)carbamic acid has a molecular weight of 119.12 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(2-aminoethyl)carbamic acid is sourced from PubChem (CID 142575644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).