(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid

C10H19N3O5 — CID 107839136

IUPAC(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCNC(=O)CN(C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-11-8(15)6-13(2)10(18)12-5-4-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)/t7-/m0/s1
InChIKeyBJTSHIRLQBMBLX-ZETCQYMHSA-N
MW261.28 g/mol
LogP-1.40
Rot. Bonds7

About (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107839136) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107839136
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCNC(=O)CN(C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-11-8(15)6-13(2)10(18)12-5-4-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)/t7-/m0/s1
InChIKeyBJTSHIRLQBMBLX-ZETCQYMHSA-N
XLogP-1.40
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid with MolForge

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Related Compounds

4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541817
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
(2S)-2-hydroxy-4-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 107838215

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid (CID 107839136) is (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid is CCNC(=O)CN(C)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is BJTSHIRLQBMBLX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-3-11-8(15)6-13(2)10(18)12-5-4-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).