(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide

C19H30F2N4O2 — CID 59298077

IUPAC(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
SMILESCCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@@H](N)Cc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C19H30F2N4O2/c1-5-23-19(27)17(11(2)3)25-18(26)12(4)24-10-16(22)8-13-6-14(20)9-15(21)7-13/h6-7,9,11-12,16-17,24H,5,8,10,22H2,1-4H3,(H,23,27)(H,25,26)/t12-,16-,17-/m0/s1
InChIKeyNYMRQJNQVFRGHH-ZLIFDBKOSA-N
MW384.47 g/mol
LogP1.09
Rot. Bonds10

About (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide (PubChem CID 59298077) has the molecular formula C19H30F2N4O2 and a molecular weight of 384.47 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
PubChem CID59298077
Molecular FormulaC19H30F2N4O2
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
SMILESCCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@@H](N)Cc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C19H30F2N4O2/c1-5-23-19(27)17(11(2)3)25-18(26)12(4)24-10-16(22)8-13-6-14(20)9-15(21)7-13/h6-7,9,11-12,16-17,24H,5,8,10,22H2,1-4H3,(H,23,27)(H,25,26)/t12-,16-,17-/m0/s1
InChIKeyNYMRQJNQVFRGHH-ZLIFDBKOSA-N
XLogP1.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide (CID 59298077) is (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide is CCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@@H](N)Cc1cc(F)cc(F)c1)C(C)C.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide?
The InChIKey is NYMRQJNQVFRGHH-ZLIFDBKOSA-N. The full InChI is InChI=1S/C19H30F2N4O2/c1-5-23-19(27)17(11(2)3)25-18(26)12(4)24-10-16(22)8-13-6-14(20)9-15(21)7-13/h6-7,9,11-12,16-17,24H,5,8,10,22H2,1-4H3,(H,23,27)(H,25,26)/t12-,16-,17-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide?
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide has a molecular weight of 384.47 g/mol, XLogP of 1.09, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-difluorophenyl)propyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 59298077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).