2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid

C10H16N4O4 — CID 107438398

IUPAC2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
SMILESCC(C#N)CN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H16N4O4/c1-7(3-11)4-13(2)10(18)14(5-8(12)15)6-9(16)17/h7H,4-6H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyAXSGCAMHDIKZDG-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.93
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 107438398) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
PubChem CID107438398
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
SMILESCC(C#N)CN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H16N4O4/c1-7(3-11)4-13(2)10(18)14(5-8(12)15)6-9(16)17/h7H,4-6H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyAXSGCAMHDIKZDG-UHFFFAOYSA-N
XLogP-0.93
TPSA127.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-Amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264203
Ac-N(MeNH2)Gly-N(iBu)Gly-N(MeNH2)Gly-N(MeNH2)Gly-OH
CID 118650049
2-[[2-Oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamoylamino]acetic acid
CID 154068702
2-[[2-(2-Methylpropylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 16790337
2-[Methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43442314
2-[[2-(2-Methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466072
2-[Methyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]acetic acid
CID 43567590
2-[Cyclopropylmethyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid
CID 43656109
2-[[(2-Amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656117
2-[Cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid
CID 43656118
2-[2-Acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43656145
2-[Cyclopropylmethyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]acetic acid
CID 43656153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid (CID 107438398) is 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid is CC(C#N)CN(C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is AXSGCAMHDIKZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7(3-11)4-13(2)10(18)14(5-8(12)15)6-9(16)17/h7H,4-6H2,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.93, 6 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-cyanopropyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).