(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid

C12H22N2O5 — CID 79009643

IUPAC(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
SMILESCCOC(=O)CN(CC)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H22N2O5/c1-5-14(7-9(15)19-6-2)12(18)13-10(8(3)4)11(16)17/h8,10H,5-7H2,1-4H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyDVDNHRFMTXWFJL-SNVBAGLBSA-N
MW274.32 g/mol
LogP0.69
Rot. Bonds7

About (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid

(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid (PubChem CID 79009643) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
PubChem CID79009643
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
SMILESCCOC(=O)CN(CC)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H22N2O5/c1-5-14(7-9(15)19-6-2)12(18)13-10(8(3)4)11(16)17/h8,10H,5-7H2,1-4H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyDVDNHRFMTXWFJL-SNVBAGLBSA-N
XLogP0.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 62955217
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 174371592
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
CID 82002217
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid (CID 79009643) is (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid is CCOC(=O)CN(CC)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is DVDNHRFMTXWFJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-14(7-9(15)19-6-2)12(18)13-10(8(3)4)11(16)17/h8,10H,5-7H2,1-4H3,(H,13,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid?
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 79009643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).