(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate

C10H21N3O3 — CID 154966130

IUPAC(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCC(C)(CN)OC(=O)N1CCNC[C@H]1CO
InChIInChI=1S/C10H21N3O3/c1-10(2,7-11)16-9(15)13-4-3-12-5-8(13)6-14/h8,12,14H,3-7,11H2,1-2H3/t8-/m0/s1
InChIKeyQAGRUKBEOSECHJ-QMMMGPOBSA-N
MW231.30 g/mol
LogP-0.87
Rot. Bonds3

About (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate

(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate (PubChem CID 154966130) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
PubChem CID154966130
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCC(C)(CN)OC(=O)N1CCNC[C@H]1CO
InChIInChI=1S/C10H21N3O3/c1-10(2,7-11)16-9(15)13-4-3-12-5-8(13)6-14/h8,12,14H,3-7,11H2,1-2H3/t8-/m0/s1
InChIKeyQAGRUKBEOSECHJ-QMMMGPOBSA-N
XLogP-0.87
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
2-(hydroxymethyl)piperazine-1-carboxamide
CID 175982295
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
CID 177056056

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate (CID 154966130) is (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate is CC(C)(CN)OC(=O)N1CCNC[C@H]1CO.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate?
The InChIKey is QAGRUKBEOSECHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,7-11)16-9(15)13-4-3-12-5-8(13)6-14/h8,12,14H,3-7,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate?
(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate has a molecular weight of 231.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 154966130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).