methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate

C11H21N3O3 — CID 93469912

IUPACmethyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
SMILESCCC[C@H](N)C(=O)N1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H21N3O3/c1-3-4-9(12)10(15)13-5-7-14(8-6-13)11(16)17-2/h9H,3-8,12H2,1-2H3/t9-/m0/s1
InChIKeyRMVZLDWRSSWNLT-VIFPVBQESA-N
MW243.31 g/mol
LogP0.02
Rot. Bonds3

About methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate

methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate (PubChem CID 93469912) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
PubChem CID93469912
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
SMILESCCC[C@H](N)C(=O)N1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H21N3O3/c1-3-4-9(12)10(15)13-5-7-14(8-6-13)11(16)17-2/h9H,3-8,12H2,1-2H3/t9-/m0/s1
InChIKeyRMVZLDWRSSWNLT-VIFPVBQESA-N
XLogP0.02
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
CID 110818049
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate (CID 93469912) is methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate is CCC[C@H](N)C(=O)N1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate?
The InChIKey is RMVZLDWRSSWNLT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-9(12)10(15)13-5-7-14(8-6-13)11(16)17-2/h9H,3-8,12H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate?
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 93469912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).