2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid

C8H14N4O5 — CID 107434098

IUPAC2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
SMILESCC(NC(N)=O)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N4O5/c1-4(11-8(10)17)7(16)12(2-5(9)13)3-6(14)15/h4H,2-3H2,1H3,(H2,9,13)(H,14,15)(H3,10,11,17)
InChIKeyFCFDUZRZMKGKDN-UHFFFAOYSA-N
MW246.22 g/mol
LogP-2.56
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid (PubChem CID 107434098) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
PubChem CID107434098
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
SMILESCC(NC(N)=O)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H14N4O5/c1-4(11-8(10)17)7(16)12(2-5(9)13)3-6(14)15/h4H,2-3H2,1H3,(H2,9,13)(H,14,15)(H3,10,11,17)
InChIKeyFCFDUZRZMKGKDN-UHFFFAOYSA-N
XLogP-2.56
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 107438288
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
CID 54898521
2-[[2-(carbamoylamino)-4-methylpentanoyl]-propylamino]acetic acid
CID 61013419
2-[(2-amino-2-oxoethyl)-(1-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438810
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
CID 107438046
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid (CID 107434098) is 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid is CC(NC(N)=O)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid?
The InChIKey is FCFDUZRZMKGKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O5/c1-4(11-8(10)17)7(16)12(2-5(9)13)3-6(14)15/h4H,2-3H2,1H3,(H2,9,13)(H,14,15)(H3,10,11,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid has a molecular weight of 246.22 g/mol, XLogP of -2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 107434098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).