4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid

C11H21N3O5 — CID 107839151

IUPAC4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCNC(=O)CN(CC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-12-9(16)7-14(4-2)11(19)13-6-5-8(15)10(17)18/h8,15H,3-7H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeySOZJUAVOHXTBQG-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.01
Rot. Bonds8

About 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid

4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107839151) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107839151
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCNC(=O)CN(CC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-12-9(16)7-14(4-2)11(19)13-6-5-8(15)10(17)18/h8,15H,3-7H2,1-2H3,(H,12,16)(H,13,19)(H,17,18)
InChIKeySOZJUAVOHXTBQG-UHFFFAOYSA-N
XLogP-1.01
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839136
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65220926
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109940
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid (CID 107839151) is 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid is CCNC(=O)CN(CC)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is SOZJUAVOHXTBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-12-9(16)7-14(4-2)11(19)13-6-5-8(15)10(17)18/h8,15H,3-7H2,1-2H3,(H,12,16)(H,13,19)(H,17,18).
What are the key properties of 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).