(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide

C10H17F3N4O3 — CID 15487694

IUPAC(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@H](N)C(=O)N[C@@](C)(C(=O)N[C@@H](C)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H17F3N4O3/c1-4(14)7(19)17-9(3,10(11,12)13)8(20)16-5(2)6(15)18/h4-5H,14H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)/t4-,5-,9-/m0/s1
InChIKeyUWRDITIZTNUTPT-PJPYAQQDSA-N
MW298.27 g/mol
LogP-1.24
Rot. Bonds5

About (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide

(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 15487694) has the molecular formula C10H17F3N4O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID15487694
Molecular FormulaC10H17F3N4O3
Molecular Weight298.27 g/mol
Exact Mass298.13
IUPAC Name(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide
SMILESC[C@H](N)C(=O)N[C@@](C)(C(=O)N[C@@H](C)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H17F3N4O3/c1-4(14)7(19)17-9(3,10(11,12)13)8(20)16-5(2)6(15)18/h4-5H,14H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)/t4-,5-,9-/m0/s1
InChIKeyUWRDITIZTNUTPT-PJPYAQQDSA-N
XLogP-1.24
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide (CID 15487694) is (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide is C[C@H](N)C(=O)N[C@@](C)(C(=O)N[C@@H](C)C(N)=O)C(F)(F)F.
What is the InChIKey of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is UWRDITIZTNUTPT-PJPYAQQDSA-N. The full InChI is InChI=1S/C10H17F3N4O3/c1-4(14)7(19)17-9(3,10(11,12)13)8(20)16-5(2)6(15)18/h4-5H,14H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)/t4-,5-,9-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide?
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 298.27 g/mol, XLogP of -1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 15487694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).