cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 120678270

IUPACcis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-8(2)12-11(6-15-7-16-12)13(18)17-10-4-3-9(5-10)14(19)20/h6-10H,3-5H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyIQDWXMJERRHPSW-ZJUUUORDSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds4

About cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678270) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678270
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namecis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ncncc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-8(2)12-11(6-15-7-16-12)13(18)17-10-4-3-9(5-10)14(19)20/h6-10H,3-5H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyIQDWXMJERRHPSW-ZJUUUORDSA-N
XLogP1.58
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678270) is cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(C)c1ncncc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IQDWXMJERRHPSW-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)12-11(6-15-7-16-12)13(18)17-10-4-3-9(5-10)14(19)20/h6-10H,3-5H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-propan-2-ylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).