(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane

C10H21ClN2O2 — CID 175444438

IUPAC(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
SMILESCC(C)(C)Cl.NC[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C6H12N2O2.C4H9Cl/c7-4-5-2-1-3-8(5)6(9)10;1-4(2,3)5/h5H,1-4,7H2,(H,9,10);1-3H3/t5-;/m0./s1
InChIKeyXDQADNXKUZYFEH-JEDNCBNOSA-N
MW236.74 g/mol
LogP2.11
Rot. Bonds1

About (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane

(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane (PubChem CID 175444438) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
PubChem CID175444438
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
SMILESCC(C)(C)Cl.NC[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C6H12N2O2.C4H9Cl/c7-4-5-2-1-3-8(5)6(9)10;1-4(2,3)5/h5H,1-4,7H2,(H,9,10);1-3H3/t5-;/m0./s1
InChIKeyXDQADNXKUZYFEH-JEDNCBNOSA-N
XLogP2.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755069
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119631035
2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
CID 150494906
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane?
The IUPAC name of (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane (CID 175444438) is (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane.
What is the SMILES notation for (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane?
The canonical SMILES for (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane is CC(C)(C)Cl.NC[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane?
The InChIKey is XDQADNXKUZYFEH-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H12N2O2.C4H9Cl/c7-4-5-2-1-3-8(5)6(9)10;1-4(2,3)5/h5H,1-4,7H2,(H,9,10);1-3H3/t5-;/m0./s1.
What are the key properties of (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane?
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane has a molecular weight of 236.74 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane is sourced from PubChem (CID 175444438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).