(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid

C11H20N4O5 — CID 107826733

IUPAC(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCCN(CC(=O)N(C)C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-4-15(6-9(17)14(2)3)11(20)13-7(10(18)19)5-8(12)16/h7H,4-6H2,1-3H3,(H2,12,16)(H,13,20)(H,18,19)/t7-/m1/s1
InChIKeyNKWCEPBYQMGOND-SSDOTTSWSA-N
MW288.30 g/mol
LogP-1.57
Rot. Bonds7

About (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid

(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid (PubChem CID 107826733) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid
PubChem CID107826733
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCCN(CC(=O)N(C)C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-4-15(6-9(17)14(2)3)11(20)13-7(10(18)19)5-8(12)16/h7H,4-6H2,1-3H3,(H2,12,16)(H,13,20)(H,18,19)/t7-/m1/s1
InChIKeyNKWCEPBYQMGOND-SSDOTTSWSA-N
XLogP-1.57
TPSA133.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
(2S)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63955055
(2R)-4-amino-2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 114005659
2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 114005644
(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61426093
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306
4-amino-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61193149

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid (CID 107826733) is (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid is CCN(CC(=O)N(C)C)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is NKWCEPBYQMGOND-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-4-15(6-9(17)14(2)3)11(20)13-7(10(18)19)5-8(12)16/h7H,4-6H2,1-3H3,(H2,12,16)(H,13,20)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 288.30 g/mol, XLogP of -1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107826733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).