(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid

C15H28N2O4 — CID 107145828

IUPAC(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N(CCOC)C(C)C1CC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-5-6-13(14(18)19)16-15(20)17(9-10-21-3)11(2)12-7-8-12/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)/t11?,13-/m0/s1
InChIKeyWBYQOCWNAWBUAT-YUZLPWPTSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds10

About (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid

(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid (PubChem CID 107145828) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
PubChem CID107145828
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N(CCOC)C(C)C1CC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-5-6-13(14(18)19)16-15(20)17(9-10-21-3)11(2)12-7-8-12/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)/t11?,13-/m0/s1
InChIKeyWBYQOCWNAWBUAT-YUZLPWPTSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid with MolForge

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Related Compounds

2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 82951883
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084788
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid (CID 107145828) is (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N(CCOC)C(C)C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is WBYQOCWNAWBUAT-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-5-6-13(14(18)19)16-15(20)17(9-10-21-3)11(2)12-7-8-12/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid?
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 300.40 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 (2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 107145828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).