(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide

C13H19N3O3 — CID 103101968

IUPAC(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
SMILESCCN(CC(N)=O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H19N3O3/c1-2-16(8-12(15)18)13(19)11(14)7-9-3-5-10(17)6-4-9/h3-6,11,17H,2,7-8,14H2,1H3,(H2,15,18)/t11-/m1/s1
InChIKeyVJWZAFQEWJWMSQ-LLVKDONJSA-N
MW265.31 g/mol
LogP-0.40
Rot. Bonds6

About (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide (PubChem CID 103101968) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
PubChem CID103101968
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
SMILESCCN(CC(N)=O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H19N3O3/c1-2-16(8-12(15)18)13(19)11(14)7-9-3-5-10(17)6-4-9/h3-6,11,17H,2,7-8,14H2,1H3,(H2,15,18)/t11-/m1/s1
InChIKeyVJWZAFQEWJWMSQ-LLVKDONJSA-N
XLogP-0.40
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
CID 76894772
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 76892169
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide (CID 103101968) is (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide is CCN(CC(N)=O)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VJWZAFQEWJWMSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16(8-12(15)18)13(19)11(14)7-9-3-5-10(17)6-4-9/h3-6,11,17H,2,7-8,14H2,1H3,(H2,15,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 103101968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).