(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid

C10H17N3O5 — CID 80756766

IUPAC(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCOCCN(CCC#N)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-18-6-5-13(4-2-3-11)10(17)12-8(7-14)9(15)16/h8,14H,2,4-7H2,1H3,(H,12,17)(H,15,16)/t8-/m1/s1
InChIKeyNGZLCRKMKCWSEA-MRVPVSSYSA-N
MW259.26 g/mol
LogP-1.00
Rot. Bonds8

About (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80756766) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80756766
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCOCCN(CCC#N)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-18-6-5-13(4-2-3-11)10(17)12-8(7-14)9(15)16/h8,14H,2,4-7H2,1H3,(H,12,17)(H,15,16)/t8-/m1/s1
InChIKeyNGZLCRKMKCWSEA-MRVPVSSYSA-N
XLogP-1.00
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2S)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63286518
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 54988556
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 54988162
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 80756766) is (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid is COCCN(CCC#N)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is NGZLCRKMKCWSEA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-18-6-5-13(4-2-3-11)10(17)12-8(7-14)9(15)16/h8,14H,2,4-7H2,1H3,(H,12,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80756766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).