(2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide

C12H14ClN3O — CID 91760502

IUPAC(2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H14ClN3O/c1-7(14)12(17)15-6-10-5-8-4-9(13)2-3-11(8)16-10/h2-5,7,16H,6,14H2,1H3,(H,15,17)/t7-/m1/s1
InChIKeyRPCQHQZNPFUVHR-SSDOTTSWSA-N
MW251.72 g/mol
LogP1.78
Rot. Bonds3

About (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide

(2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide (PubChem CID 91760502) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide
PubChem CID91760502
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H14ClN3O/c1-7(14)12(17)15-6-10-5-8-4-9(13)2-3-11(8)16-10/h2-5,7,16H,6,14H2,1H3,(H,15,17)/t7-/m1/s1
InChIKeyRPCQHQZNPFUVHR-SSDOTTSWSA-N
XLogP1.78
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide (CID 91760502) is (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide is C[C@@H](N)C(=O)NCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide?
The InChIKey is RPCQHQZNPFUVHR-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7(14)12(17)15-6-10-5-8-4-9(13)2-3-11(8)16-10/h2-5,7,16H,6,14H2,1H3,(H,15,17)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide?
(2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide has a molecular weight of 251.72 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-chloro-1H-indol-2-yl)methyl]propanamide is sourced from PubChem (CID 91760502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).