2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid

C14H28N2O4 — CID 62474515

IUPAC2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCCCN(C(=O)NC(CCOC)C(=O)O)C(C)CC
InChIInChI=1S/C14H28N2O4/c1-5-7-9-16(11(3)6-2)14(19)15-12(13(17)18)8-10-20-4/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyGTTMEFLVQZLXPB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds10

About 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid

2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62474515) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62474515
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCCCN(C(=O)NC(CCOC)C(=O)O)C(C)CC
InChIInChI=1S/C14H28N2O4/c1-5-7-9-16(11(3)6-2)14(19)15-12(13(17)18)8-10-20-4/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyGTTMEFLVQZLXPB-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62475240
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid (CID 62474515) is 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid is CCCCN(C(=O)NC(CCOC)C(=O)O)C(C)CC.
What is the InChIKey of 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is GTTMEFLVQZLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-7-9-16(11(3)6-2)14(19)15-12(13(17)18)8-10-20-4/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid?
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62474515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).