2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid

C12H22N4O5 — CID 107438385

IUPAC2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H22N4O5/c1-4-5-15(7-10(18)14(2)3)12(21)16(6-9(13)17)8-11(19)20/h4-8H2,1-3H3,(H2,13,17)(H,19,20)
InChIKeySLGRBCMCNXKFJP-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.22
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid (PubChem CID 107438385) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
PubChem CID107438385
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H22N4O5/c1-4-5-15(7-10(18)14(2)3)12(21)16(6-9(13)17)8-11(19)20/h4-8H2,1-3H3,(H2,13,17)(H,19,20)
InChIKeySLGRBCMCNXKFJP-UHFFFAOYSA-N
XLogP-1.22
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 107438237
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 64894953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid (CID 107438385) is 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid is CCCN(CC(=O)N(C)C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid?
The InChIKey is SLGRBCMCNXKFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-4-5-15(7-10(18)14(2)3)12(21)16(6-9(13)17)8-11(19)20/h4-8H2,1-3H3,(H2,13,17)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of -1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).