(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide

C14H20N4O4 — CID 71351315

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N4O4/c1-16-12(20)7-17-13(21)8-18-14(22)11(15)6-9-2-4-10(19)5-3-9/h2-5,11,19H,6-8,15H2,1H3,(H,16,20)(H,17,21)(H,18,22)/t11-/m0/s1
InChIKeyDWTYYPNJFARSHY-NSHDSACASA-N
MW308.34 g/mol
LogP-1.76
Rot. Bonds7

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide (PubChem CID 71351315) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
PubChem CID71351315
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N4O4/c1-16-12(20)7-17-13(21)8-18-14(22)11(15)6-9-2-4-10(19)5-3-9/h2-5,11,19H,6-8,15H2,1H3,(H,16,20)(H,17,21)(H,18,22)/t11-/m0/s1
InChIKeyDWTYYPNJFARSHY-NSHDSACASA-N
XLogP-1.76
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetic acid
CID 5060023
2-[[2-[[2-[[(2S)-2-[[2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 175957602
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 10438507
methyl 2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]propanoate
CID 3840758
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 145458652
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
4-amino-2-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoylamino]-4-oxobutanoic acid
CID 19952800
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18257435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide (CID 71351315) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide is CNC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is DWTYYPNJFARSHY-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O4/c1-16-12(20)7-17-13(21)8-18-14(22)11(15)6-9-2-4-10(19)5-3-9/h2-5,11,19H,6-8,15H2,1H3,(H,16,20)(H,17,21)(H,18,22)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 308.34 g/mol, XLogP of -1.76, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 71351315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).