cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C10H14N4O3 — CID 136876809

IUPACcis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESNc1c(N[C@H]2CC[C@@H](C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-2-1-5(3-6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)/t5-,6+/m1/s1
InChIKeyIBPOYYBPTGARND-RITPCOANSA-N
MW238.25 g/mol
LogP0.02
Rot. Bonds3

About cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136876809) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136876809
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namecis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESNc1c(N[C@H]2CC[C@@H](C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-2-1-5(3-6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)/t5-,6+/m1/s1
InChIKeyIBPOYYBPTGARND-RITPCOANSA-N
XLogP0.02
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876810
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylhexanoic acid
CID 136958979
6-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-ethylhexanoic acid
CID 136958985
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136959056
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136959160
3-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136959161
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972345
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 137015746
2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 137015854
3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid
CID 137015906

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136876809) is cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is Nc1c(N[C@H]2CC[C@@H](C(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IBPOYYBPTGARND-RITPCOANSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-8(12-4-13-9(7)15)14-6-2-1-5(3-6)10(16)17/h4-6H,1-3,11H2,(H,16,17)(H2,12,13,14,15)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136876809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).