(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide

C10H24N4O2 — CID 59839920

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

About (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide

(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide (PubChem CID 59839920) has the molecular formula C10H24N4O2 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide.

Molecular Properties

Compound Name(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide
PubChem CID59839920
Molecular FormulaC10H24N4O2
Molecular Weight232.33 g/mol
Exact Mass232.19
IUPAC Name(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide
SMILESCNCC(O)CNC(=O)[C@H](CCCN)NC
InChIInChI=1S/C10H24N4O2/c1-12-6-8(15)7-14-10(16)9(13-2)4-3-5-11/h8-9,12-13,15H,3-7,11H2,1-2H3,(H,14,16)/t8?,9-/m0/s1
InChIKeyILWKYSUNHZUZBT-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)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide
CID 59688139
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
CID 59831421
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
(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
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
CID 171042672
CID 171042672
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
5-amino-N-ethyl-2-methylpentanamide
CID 134525204

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide?
The IUPAC name of (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide (CID 59839920) is (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide.
What is the SMILES notation for (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide?
The canonical SMILES for (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide is CNCC(O)CNC(=O)[C@H](CCCN)NC.
What is the InChIKey of (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide?
The InChIKey is ILWKYSUNHZUZBT-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H24N4O2/c1-12-6-8(15)7-14-10(16)9(13-2)4-3-5-11/h8-9,12-13,15H,3-7,11H2,1-2H3,(H,14,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide?
(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide 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)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide is sourced from PubChem (CID 59839920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).