(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide

C10H24N4O2 — CID 59688139

IUPAC(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide
SMILESCCNCC(O)CNC(=O)[C@H](CCN)NC
InChIInChI=1S/C10H24N4O2/c1-3-13-6-8(15)7-14-10(16)9(12-2)4-5-11/h8-9,12-13,15H,3-7,11H2,1-2H3,(H,14,16)/t8?,9-/m0/s1
InChIKeySDIWNJBBIMOJSO-GKAPJAKFSA-N
MW232.33 g/mol
LogP-1.99
Rot. Bonds9

About (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide

(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide (PubChem CID 59688139) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide
PubChem CID59688139
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide
SMILESCCNCC(O)CNC(=O)[C@H](CCN)NC
InChIInChI=1S/C10H24N4O2/c1-3-13-6-8(15)7-14-10(16)9(12-2)4-5-11/h8-9,12-13,15H,3-7,11H2,1-2H3,(H,14,16)/t8?,9-/m0/s1
InChIKeySDIWNJBBIMOJSO-GKAPJAKFSA-N
XLogP-1.99
TPSA99.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide
CID 59839920
N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide
CID 90248771
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675
(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide
CID 167681648
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide
CID 20723759
(4S)-5-[[2-[[(2S)-3-amino-2-(ethylamino)propanoyl]amino]-1-carboxyethyl]amino]-4-(methylamino)-5-oxopentanoic acid
CID 166852807
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide?
The IUPAC name of (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide (CID 59688139) is (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide?
The canonical SMILES for (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide is CCNCC(O)CNC(=O)[C@H](CCN)NC.
What is the InChIKey of (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide?
The InChIKey is SDIWNJBBIMOJSO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-3-13-6-8(15)7-14-10(16)9(12-2)4-5-11/h8-9,12-13,15H,3-7,11H2,1-2H3,(H,14,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide?
(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide has a molecular weight of 232.33 g/mol, XLogP of -1.99, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide is sourced from PubChem (CID 59688139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).