(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid

C14H16N4O4 — CID 97195064

IUPAC(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid
SMILESCCNc1ncc(C(=O)N[C@H](CC(=O)O)c2ccco2)cn1
InChIInChI=1S/C14H16N4O4/c1-2-15-14-16-7-9(8-17-14)13(21)18-10(6-12(19)20)11-4-3-5-22-11/h3-5,7-8,10H,2,6H2,1H3,(H,18,21)(H,19,20)(H,15,16,17)/t10-/m1/s1
InChIKeyYGHAPUNUXFEMBW-SNVBAGLBSA-N
MW304.31 g/mol
LogP1.45
Rot. Bonds7

About (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid

(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid (PubChem CID 97195064) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid
PubChem CID97195064
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid
SMILESCCNc1ncc(C(=O)N[C@H](CC(=O)O)c2ccco2)cn1
InChIInChI=1S/C14H16N4O4/c1-2-15-14-16-7-9(8-17-14)13(21)18-10(6-12(19)20)11-4-3-5-22-11/h3-5,7-8,10H,2,6H2,1H3,(H,18,21)(H,19,20)(H,15,16,17)/t10-/m1/s1
InChIKeyYGHAPUNUXFEMBW-SNVBAGLBSA-N
XLogP1.45
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-N-[(R)-furan-2-yl(phenyl)methyl]pyrimidine-5-carboxamide
CID 97148730
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid
CID 97202279
2-(ethylamino)-N-[1-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-5-carboxamide
CID 110004120
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057
(3R)-3-(butylsulfanylcarbonylamino)-3-(furan-2-yl)propanoic acid
CID 143634398
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 72842683
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid?
The IUPAC name of (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid (CID 97195064) is (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid is CCNc1ncc(C(=O)N[C@H](CC(=O)O)c2ccco2)cn1.
What is the InChIKey of (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid?
The InChIKey is YGHAPUNUXFEMBW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-2-15-14-16-7-9(8-17-14)13(21)18-10(6-12(19)20)11-4-3-5-22-11/h3-5,7-8,10H,2,6H2,1H3,(H,18,21)(H,19,20)(H,15,16,17)/t10-/m1/s1.
What are the key properties of (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid?
(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid has a molecular weight of 304.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid is sourced from PubChem (CID 97195064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).