4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide

C14H22N4O5 — CID 110135215

IUPAC4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide
SMILESNCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H22N4O5/c15-6-1-2-10(19)16-8-3-4-9(13(22)12(8)21)18-7-5-11(20)17-14(18)23/h5,7-9,12-13,21-22H,1-4,6,15H2,(H,16,19)(H,17,20,23)/t8-,9-,12-,13-/m1/s1
InChIKeyHJDNDWPCMOATTO-NRMKKVEVSA-N
MW326.35 g/mol
LogP-2.18
Rot. Bonds5

About 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide

4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide (PubChem CID 110135215) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide
PubChem CID110135215
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide
SMILESNCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H22N4O5/c15-6-1-2-10(19)16-8-3-4-9(13(22)12(8)21)18-7-5-11(20)17-14(18)23/h5,7-9,12-13,21-22H,1-4,6,15H2,(H,16,19)(H,17,20,23)/t8-,9-,12-,13-/m1/s1
InChIKeyHJDNDWPCMOATTO-NRMKKVEVSA-N
XLogP-2.18
TPSA150.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide?
The IUPAC name of 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide (CID 110135215) is 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide?
The canonical SMILES for 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide is NCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide?
The InChIKey is HJDNDWPCMOATTO-NRMKKVEVSA-N. The full InChI is InChI=1S/C14H22N4O5/c15-6-1-2-10(19)16-8-3-4-9(13(22)12(8)21)18-7-5-11(20)17-14(18)23/h5,7-9,12-13,21-22H,1-4,6,15H2,(H,16,19)(H,17,20,23)/t8-,9-,12-,13-/m1/s1.
What are the key properties of 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide?
4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide has a molecular weight of 326.35 g/mol, XLogP of -2.18, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]butanamide is sourced from PubChem (CID 110135215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).