4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid

C10H19N3O5 — CID 107840927

IUPAC4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESCCNC(=O)CCNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-2-11-8(15)4-6-13-10(18)12-5-3-7(14)9(16)17/h7,14H,2-6H2,1H3,(H,11,15)(H,16,17)(H2,12,13,18)
InChIKeyQWPBVYQBHQKRNT-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.35
Rot. Bonds8

About 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid

4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107840927) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107840927
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESCCNC(=O)CCNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-2-11-8(15)4-6-13-10(18)12-5-3-7(14)9(16)17/h7,14H,2-6H2,1H3,(H,11,15)(H,16,17)(H2,12,13,18)
InChIKeyQWPBVYQBHQKRNT-UHFFFAOYSA-N
XLogP-1.35
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007416
(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839136
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007621
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid (CID 107840927) is 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid is CCNC(=O)CCNC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is QWPBVYQBHQKRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-2-11-8(15)4-6-13-10(18)12-5-3-7(14)9(16)17/h7,14H,2-6H2,1H3,(H,11,15)(H,16,17)(H2,12,13,18).
What are the key properties of 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.35, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).