2-[amino-[(E)-but-2-enoyl]amino]acetic acid

C6H10N2O3 — CID 170570518

IUPAC2-[amino-[(E)-but-2-enoyl]amino]acetic acid
SMILESC/C=C/C(=O)N(N)CC(=O)O
InChIInChI=1S/C6H10N2O3/c1-2-3-5(9)8(7)4-6(10)11/h2-3H,4,7H2,1H3,(H,10,11)/b3-2+
InChIKeyRCWNDMOSQVEONI-NSCUHMNNSA-N
MW158.16 g/mol
LogP-0.65
Rot. Bonds3

About 2-[amino-[(E)-but-2-enoyl]amino]acetic acid

2-[amino-[(E)-but-2-enoyl]amino]acetic acid (PubChem CID 170570518) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-[amino-[(E)-but-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[amino-[(E)-but-2-enoyl]amino]acetic acid
PubChem CID170570518
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-[amino-[(E)-but-2-enoyl]amino]acetic acid
SMILESC/C=C/C(=O)N(N)CC(=O)O
InChIInChI=1S/C6H10N2O3/c1-2-3-5(9)8(7)4-6(10)11/h2-3H,4,7H2,1H3,(H,10,11)/b3-2+
InChIKeyRCWNDMOSQVEONI-NSCUHMNNSA-N
XLogP-0.65
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(E)-but-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[amino-[(E)-but-2-enoyl]amino]acetic acid (CID 170570518) is 2-[amino-[(E)-but-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[amino-[(E)-but-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[amino-[(E)-but-2-enoyl]amino]acetic acid is C/C=C/C(=O)N(N)CC(=O)O.
What is the InChIKey of 2-[amino-[(E)-but-2-enoyl]amino]acetic acid?
The InChIKey is RCWNDMOSQVEONI-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-3-5(9)8(7)4-6(10)11/h2-3H,4,7H2,1H3,(H,10,11)/b3-2+.
What are the key properties of 2-[amino-[(E)-but-2-enoyl]amino]acetic acid?
2-[amino-[(E)-but-2-enoyl]amino]acetic acid has a molecular weight of 158.16 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(E)-but-2-enoyl]amino]acetic acid is sourced from PubChem (CID 170570518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).