(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid

C19H23FN2O4 — CID 97274460

IUPAC(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1F
InChIInChI=1S/C19H23FN2O4/c20-15-4-2-1-3-14(15)16(11-17(23)24)21-18(25)12-7-9-22(10-8-12)19(26)13-5-6-13/h1-4,12-13,16H,5-11H2,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyNAPSPALUXQQYLT-MRXNPFEDSA-N
MW362.40 g/mol
LogP2.11
Rot. Bonds6

About (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid

(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid (PubChem CID 97274460) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
PubChem CID97274460
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1F
InChIInChI=1S/C19H23FN2O4/c20-15-4-2-1-3-14(15)16(11-17(23)24)21-18(25)12-7-9-22(10-8-12)19(26)13-5-6-13/h1-4,12-13,16H,5-11H2,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKeyNAPSPALUXQQYLT-MRXNPFEDSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid (CID 97274460) is (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid is O=C(O)C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1F.
What is the InChIKey of (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
The InChIKey is NAPSPALUXQQYLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23FN2O4/c20-15-4-2-1-3-14(15)16(11-17(23)24)21-18(25)12-7-9-22(10-8-12)19(26)13-5-6-13/h1-4,12-13,16H,5-11H2,(H,21,25)(H,23,24)/t16-/m1/s1.
What are the key properties of (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid?
(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid has a molecular weight of 362.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 97274460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).