2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid

C13H25N3O5 — CID 62475235

IUPAC2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(CC(=O)NC(C)C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-16(8-11(17)14-9(2)3)13(20)15-10(12(18)19)6-7-21-4/h9-10H,5-8H2,1-4H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyCHAGMAICSNRUBX-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.03
Rot. Bonds9

About 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid

2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62475235) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62475235
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(CC(=O)NC(C)C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-16(8-11(17)14-9(2)3)13(20)15-10(12(18)19)6-7-21-4/h9-10H,5-8H2,1-4H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyCHAGMAICSNRUBX-UHFFFAOYSA-N
XLogP0.03
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62480788
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62475240

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid (CID 62475235) is 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid is CCN(CC(=O)NC(C)C)C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is CHAGMAICSNRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-5-16(8-11(17)14-9(2)3)13(20)15-10(12(18)19)6-7-21-4/h9-10H,5-8H2,1-4H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid?
2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 303.36 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62475235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).