2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid

C10H16N4O5 — CID 79285413

IUPAC2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H16N4O5/c1-2-3-13(6-9(17)18)10(19)14(4-7(11)15)5-8(12)16/h2H,1,3-6H2,(H2,11,15)(H2,12,16)(H,17,18)
InChIKeyYEGFHALKEMQPON-UHFFFAOYSA-N
MW272.26 g/mol
LogP-2.05
Rot. Bonds8

About 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid

2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid (PubChem CID 79285413) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
PubChem CID79285413
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H16N4O5/c1-2-3-13(6-9(17)18)10(19)14(4-7(11)15)5-8(12)16/h2H,1,3-6H2,(H2,11,15)(H2,12,16)(H,17,18)
InChIKeyYEGFHALKEMQPON-UHFFFAOYSA-N
XLogP-2.05
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275634
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79275776
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276660
2-[(carbamoylamino)-prop-2-enylamino]acetic acid
CID 173292700
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid (CID 79285413) is 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is YEGFHALKEMQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-2-3-13(6-9(17)18)10(19)14(4-7(11)15)5-8(12)16/h2H,1,3-6H2,(H2,11,15)(H2,12,16)(H,17,18).
What are the key properties of 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid?
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 272.26 g/mol, XLogP of -2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79285413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).