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

C15H24N4O5 — CID 110153811

IUPAC5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide
SMILESNCCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H24N4O5/c16-7-2-1-3-11(20)17-9-4-5-10(14(23)13(9)22)19-8-6-12(21)18-15(19)24/h6,8-10,13-14,22-23H,1-5,7,16H2,(H,17,20)(H,18,21,24)/t9-,10-,13-,14-/m1/s1
InChIKeyRLYQCPCXJQTVFP-DMTCVQMQSA-N
MW340.38 g/mol
LogP-1.79
Rot. Bonds6

About 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide

5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide (PubChem CID 110153811) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide
PubChem CID110153811
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide
SMILESNCCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H24N4O5/c16-7-2-1-3-11(20)17-9-4-5-10(14(23)13(9)22)19-8-6-12(21)18-15(19)24/h6,8-10,13-14,22-23H,1-5,7,16H2,(H,17,20)(H,18,21,24)/t9-,10-,13-,14-/m1/s1
InChIKeyRLYQCPCXJQTVFP-DMTCVQMQSA-N
XLogP-1.79
TPSA150.44 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide?
The IUPAC name of 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide (CID 110153811) is 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide?
The canonical SMILES for 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide is NCCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide?
The InChIKey is RLYQCPCXJQTVFP-DMTCVQMQSA-N. The full InChI is InChI=1S/C15H24N4O5/c16-7-2-1-3-11(20)17-9-4-5-10(14(23)13(9)22)19-8-6-12(21)18-15(19)24/h6,8-10,13-14,22-23H,1-5,7,16H2,(H,17,20)(H,18,21,24)/t9-,10-,13-,14-/m1/s1.
What are the key properties of 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide?
5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide has a molecular weight of 340.38 g/mol, XLogP of -1.79, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclohexyl]pentanamide is sourced from PubChem (CID 110153811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).