N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride

C12H19ClN4O3 — CID 154888784

IUPACN-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](NC(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C12H18N4O3.ClH/c13-8-1-2-9(7-8)14-10(17)3-5-16-6-4-11(18)15-12(16)19;/h4,6,8-9H,1-3,5,7,13H2,(H,14,17)(H,15,18,19);1H/t8-,9-;/m1./s1
InChIKeyVDJOKVWPQOBRLN-VTLYIQCISA-N
MW302.76 g/mol
LogP-0.66
Rot. Bonds4

About N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride

N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride (PubChem CID 154888784) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
PubChem CID154888784
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H](NC(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C12H18N4O3.ClH/c13-8-1-2-9(7-8)14-10(17)3-5-16-6-4-11(18)15-12(16)19;/h4,6,8-9H,1-3,5,7,13H2,(H,14,17)(H,15,18,19);1H/t8-,9-;/m1./s1
InChIKeyVDJOKVWPQOBRLN-VTLYIQCISA-N
XLogP-0.66
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
3-(2,4-dioxopyrimidin-1-yl)-N-(4-pyridin-2-yloxycyclohexyl)propanamide
CID 91625957
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 95709652
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 108788659
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 98184565
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide
CID 77081382
6-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 108788654
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride (CID 154888784) is N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride is Cl.N[C@@H]1CC[C@@H](NC(=O)CCn2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride?
The InChIKey is VDJOKVWPQOBRLN-VTLYIQCISA-N. The full InChI is InChI=1S/C12H18N4O3.ClH/c13-8-1-2-9(7-8)14-10(17)3-5-16-6-4-11(18)15-12(16)19;/h4,6,8-9H,1-3,5,7,13H2,(H,14,17)(H,15,18,19);1H/t8-,9-;/m1./s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride?
N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 154888784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).