(2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide

C15H20FN5O3 — CID 98753870

IUPAC(2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN5O3/c1-9(13(22)20-14(17)23)21-7-6-12(8-21)19-15(24)18-11-4-2-10(16)3-5-11/h2-5,9,12H,6-8H2,1H3,(H2,18,19,24)(H3,17,20,22,23)/t9-,12-/m1/s1
InChIKeyYHOHMGXMRHIHLW-BXKDBHETSA-N
MW337.36 g/mol
LogP0.60
Rot. Bonds4

About (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide

(2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide (PubChem CID 98753870) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide
PubChem CID98753870
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC Name(2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN5O3/c1-9(13(22)20-14(17)23)21-7-6-12(8-21)19-15(24)18-11-4-2-10(16)3-5-11/h2-5,9,12H,6-8H2,1H3,(H2,18,19,24)(H3,17,20,22,23)/t9-,12-/m1/s1
InChIKeyYHOHMGXMRHIHLW-BXKDBHETSA-N
XLogP0.60
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 100839499
1-[(3R)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100839495
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide (CID 98753870) is (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide?
The InChIKey is YHOHMGXMRHIHLW-BXKDBHETSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-9(13(22)20-14(17)23)21-7-6-12(8-21)19-15(24)18-11-4-2-10(16)3-5-11/h2-5,9,12H,6-8H2,1H3,(H2,18,19,24)(H3,17,20,22,23)/t9-,12-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide?
(2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide has a molecular weight of 337.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[(3R)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 98753870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).