(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C8H18ClN3O — CID 130719126

IUPAC(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6(9)8(12)11-5-7-3-2-4-10-7;/h6-7,10H,2-5,9H2,1H3,(H,11,12);1H/t6-,7?;/m1./s1
InChIKeyXKSMGCRDNACOMZ-JVEOKNEYSA-N
MW207.70 g/mol
LogP-0.38
Rot. Bonds3

About (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 130719126) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID130719126
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6(9)8(12)11-5-7-3-2-4-10-7;/h6-7,10H,2-5,9H2,1H3,(H,11,12);1H/t6-,7?;/m1./s1
InChIKeyXKSMGCRDNACOMZ-JVEOKNEYSA-N
XLogP-0.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 143330187
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510206
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510207
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 130719126) is (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1CCCN1.Cl.
What is the InChIKey of (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is XKSMGCRDNACOMZ-JVEOKNEYSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-6(9)8(12)11-5-7-3-2-4-10-7;/h6-7,10H,2-5,9H2,1H3,(H,11,12);1H/t6-,7?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 130719126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).