N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide

C8H19N3O2 — CID 163940153

IUPACN-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide
SMILESCNC[C@H](C)N[C@@H](O)CNC(C)=O
InChIInChI=1S/C8H19N3O2/c1-6(4-9-3)11-8(13)5-10-7(2)12/h6,8-9,11,13H,4-5H2,1-3H3,(H,10,12)/t6-,8-/m0/s1
InChIKeyRQHHGCXFFZKYEG-XPUUQOCRSA-N
MW189.26 g/mol
LogP-1.36
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide

N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide (PubChem CID 163940153) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide
PubChem CID163940153
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide
SMILESCNC[C@H](C)N[C@@H](O)CNC(C)=O
InChIInChI=1S/C8H19N3O2/c1-6(4-9-3)11-8(13)5-10-7(2)12/h6,8-9,11,13H,4-5H2,1-3H3,(H,10,12)/t6-,8-/m0/s1
InChIKeyRQHHGCXFFZKYEG-XPUUQOCRSA-N
XLogP-1.36
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
N-[2-methyl-5-(methylamino)pentyl]acetamide
CID 162925431
(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
CID 142343906
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-(2-methoxypropyl)acetamide
CID 90876780
N-tert-butyl-2-[1-(methylamino)propan-2-yloxy]propanamide
CID 62336075
N-(2-acetamidobutyl)acetamide
CID 547374

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide (CID 163940153) is N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide is CNC[C@H](C)N[C@@H](O)CNC(C)=O.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide?
The InChIKey is RQHHGCXFFZKYEG-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-6(4-9-3)11-8(13)5-10-7(2)12/h6,8-9,11,13H,4-5H2,1-3H3,(H,10,12)/t6-,8-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide?
N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide has a molecular weight of 189.26 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[[(2S)-1-(methylamino)propan-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 163940153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).