(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid

C12H17N3O4 — CID 80756242

IUPAC(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-15(7-9-3-5-13-6-4-9)12(19)14-10(8-16)11(17)18/h3-6,10,16H,2,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyXFMOLBYVEGUECN-SNVBAGLBSA-N
MW267.28 g/mol
LogP0.06
Rot. Bonds6

About (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80756242) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80756242
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-15(7-9-3-5-13-6-4-9)12(19)14-10(8-16)11(17)18/h3-6,10,16H,2,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyXFMOLBYVEGUECN-SNVBAGLBSA-N
XLogP0.06
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 80756722
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61449719
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 80756242) is (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid is CCN(Cc1ccncc1)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is XFMOLBYVEGUECN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-15(7-9-3-5-13-6-4-9)12(19)14-10(8-16)11(17)18/h3-6,10,16H,2,7-8H2,1H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80756242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).