N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide

C10H21N3O — CID 137447253

IUPACN-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1C[C@H](CN)CN1
InChIInChI=1S/C10H21N3O/c1-7(2)10(14)13-6-9-3-8(4-11)5-12-9/h7-9,12H,3-6,11H2,1-2H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyQXWISDXAQDKNCF-BDAKNGLRSA-N
MW199.30 g/mol
LogP-0.30
Rot. Bonds4

About N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide

N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide (PubChem CID 137447253) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide
PubChem CID137447253
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1C[C@H](CN)CN1
InChIInChI=1S/C10H21N3O/c1-7(2)10(14)13-6-9-3-8(4-11)5-12-9/h7-9,12H,3-6,11H2,1-2H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyQXWISDXAQDKNCF-BDAKNGLRSA-N
XLogP-0.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide;hydron;chloride
CID 135324278
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
N-(aminomethyl)-2-methylpropanamide
CID 88582106
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen
CID 177329792
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide (CID 137447253) is N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H]1C[C@H](CN)CN1.
What is the InChIKey of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide?
The InChIKey is QXWISDXAQDKNCF-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)10(14)13-6-9-3-8(4-11)5-12-9/h7-9,12H,3-6,11H2,1-2H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide?
N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide has a molecular weight of 199.30 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 137447253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).