(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid

C10H16N2O8 — CID 62955917

IUPAC(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCOC(=O)CN(CC(=O)OC)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H16N2O8/c1-19-7(14)3-12(4-8(15)20-2)10(18)11-6(5-13)9(16)17/h6,13H,3-5H2,1-2H3,(H,11,18)(H,16,17)/t6-/m0/s1
InChIKeyWTDRVOBPUVDMMG-LURJTMIESA-N
MW292.24 g/mol
LogP-2.21
Rot. Bonds7

About (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid

(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 62955917) has the molecular formula C10H16N2O8 and a molecular weight of 292.24 g/mol. Its IUPAC name is (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID62955917
Molecular FormulaC10H16N2O8
Molecular Weight292.24 g/mol
Exact Mass292.09
IUPAC Name(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCOC(=O)CN(CC(=O)OC)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H16N2O8/c1-19-7(14)3-12(4-8(15)20-2)10(18)11-6(5-13)9(16)17/h6,13H,3-5H2,1-2H3,(H,11,18)(H,16,17)/t6-/m0/s1
InChIKeyWTDRVOBPUVDMMG-LURJTMIESA-N
XLogP-2.21
TPSA142.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 62955217
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586
(2R)-2-[bis(3-methylbutyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107870556
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756766
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid (CID 62955917) is (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid is COC(=O)CN(CC(=O)OC)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is WTDRVOBPUVDMMG-LURJTMIESA-N. The full InChI is InChI=1S/C10H16N2O8/c1-19-7(14)3-12(4-8(15)20-2)10(18)11-6(5-13)9(16)17/h6,13H,3-5H2,1-2H3,(H,11,18)(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid?
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 292.24 g/mol, XLogP of -2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 62955917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).