(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid

C14H26N2O5 — CID 107145838

IUPAC(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N(CC(=O)OCC)C(C)C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-5-7-8-11(13(18)19)15-14(20)16(10(3)4)9-12(17)21-6-2/h10-11H,5-9H2,1-4H3,(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyGTMHSRRAKMXKSF-NSHDSACASA-N
MW302.37 g/mol
LogP1.61
Rot. Bonds9

About (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid

(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid (PubChem CID 107145838) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid
PubChem CID107145838
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N(CC(=O)OCC)C(C)C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-5-7-8-11(13(18)19)15-14(20)16(10(3)4)9-12(17)21-6-2/h10-11H,5-9H2,1-4H3,(H,15,20)(H,18,19)/t11-/m0/s1
InChIKeyGTMHSRRAKMXKSF-NSHDSACASA-N
XLogP1.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid with MolForge

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Related Compounds

(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
CID 107566625
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62475240
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 107830741
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
2-[(4-ethoxy-4-oxobutyl)amino]hexanoic acid
CID 103252920
ethyl 2-methylhexanoate
CID 12714009

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid (CID 107145838) is (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N(CC(=O)OCC)C(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid?
The InChIKey is GTMHSRRAKMXKSF-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O5/c1-5-7-8-11(13(18)19)15-14(20)16(10(3)4)9-12(17)21-6-2/h10-11H,5-9H2,1-4H3,(H,15,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid?
(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid is sourced from PubChem (CID 107145838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).