N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide

C11H18ClN3O — CID 104877038

IUPACN-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N[C@H](C)CN
InChIInChI=1S/C11H18ClN3O/c1-3-4-15-7-9(12)5-10(15)11(16)14-8(2)6-13/h5,7-8H,3-4,6,13H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyLOKUFFFYPZXPHJ-MRVPVSSYSA-N
MW243.74 g/mol
LogP1.63
Rot. Bonds5

About N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide

N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide (PubChem CID 104877038) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
PubChem CID104877038
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N[C@H](C)CN
InChIInChI=1S/C11H18ClN3O/c1-3-4-15-7-9(12)5-10(15)11(16)14-8(2)6-13/h5,7-8H,3-4,6,13H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyLOKUFFFYPZXPHJ-MRVPVSSYSA-N
XLogP1.63
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-amino-2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63715407
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832159
3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43639447
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43639403
(2R)-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975609
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 114696329

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide (CID 104877038) is N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)N[C@H](C)CN.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide?
The InChIKey is LOKUFFFYPZXPHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-3-4-15-7-9(12)5-10(15)11(16)14-8(2)6-13/h5,7-8H,3-4,6,13H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide has a molecular weight of 243.74 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 104877038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).