ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate

C10H19N3O4 — CID 106346911

IUPACethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-4-17-7(14)5-12-10(16)13-8(6(2)3)9(11)15/h6,8H,4-5H2,1-3H3,(H2,11,15)(H2,12,13,16)
InChIKeyWVCXCJQDXQIIGD-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.64
Rot. Bonds6

About ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate

ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate (PubChem CID 106346911) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
PubChem CID106346911
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nameethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-4-17-7(14)5-12-10(16)13-8(6(2)3)9(11)15/h6,8H,4-5H2,1-3H3,(H2,11,15)(H2,12,13,16)
InChIKeyWVCXCJQDXQIIGD-UHFFFAOYSA-N
XLogP-0.64
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-methylpentan-3-ylcarbamoylamino)acetate
CID 61471057
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanamide
CID 104581253
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
ethyl 2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetate
CID 10319675
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
ethyl 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]acetate
CID 92881378
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate (CID 106346911) is ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate?
The InChIKey is WVCXCJQDXQIIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-17-7(14)5-12-10(16)13-8(6(2)3)9(11)15/h6,8H,4-5H2,1-3H3,(H2,11,15)(H2,12,13,16).
What are the key properties of ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate?
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate has a molecular weight of 245.28 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate is sourced from PubChem (CID 106346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).