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

C13H18N4O4 — CID 104905118

IUPAC(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(=O)CN(CC(N)=O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H18N4O4/c14-10(5-8-1-3-9(18)4-2-8)13(21)17(6-11(15)19)7-12(16)20/h1-4,10,18H,5-7,14H2,(H2,15,19)(H2,16,20)/t10-/m1/s1
InChIKeyCBFCBRJJELAGLM-SNVBAGLBSA-N
MW294.31 g/mol
LogP-1.94
Rot. Bonds7

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

(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905118) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905118
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(=O)CN(CC(N)=O)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H18N4O4/c14-10(5-8-1-3-9(18)4-2-8)13(21)17(6-11(15)19)7-12(16)20/h1-4,10,18H,5-7,14H2,(H2,15,19)(H2,16,20)/t10-/m1/s1
InChIKeyCBFCBRJJELAGLM-SNVBAGLBSA-N
XLogP-1.94
TPSA152.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
(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,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 76892169
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxyphenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 61154746
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide (CID 104905118) is (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide is NC(=O)CN(CC(N)=O)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is CBFCBRJJELAGLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-10(5-8-1-3-9(18)4-2-8)13(21)17(6-11(15)19)7-12(16)20/h1-4,10,18H,5-7,14H2,(H2,15,19)(H2,16,20)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 294.31 g/mol, XLogP of -1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).