2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid

C11H17N3O4 — CID 61193722

IUPAC2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid
SMILESC=CCN(CC=C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-5-14(6-4-2)11(18)13-7-9(15)12-8-10(16)17/h3-4H,1-2,5-8H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyUVEXQPRDQYRGPV-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.43
Rot. Bonds8

About 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 61193722) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID61193722
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid
SMILESC=CCN(CC=C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-5-14(6-4-2)11(18)13-7-9(15)12-8-10(16)17/h3-4H,1-2,5-8H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyUVEXQPRDQYRGPV-UHFFFAOYSA-N
XLogP-0.43
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328855
2-[2,2-difluoroethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 115408164
[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
CID 23278184
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61443365
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
CID 138533893
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762
4-[bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701
2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422761
N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide
CID 43145956

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid (CID 61193722) is 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid is C=CCN(CC=C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is UVEXQPRDQYRGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-5-14(6-4-2)11(18)13-7-9(15)12-8-10(16)17/h3-4H,1-2,5-8H2,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61193722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).