4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide

C13H21N3O3 — CID 107864320

IUPAC4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3O3/c1-2-13(7-17,8-18)15-12(19)11-5-9(14)6-16(11)10-3-4-10/h5-6,10,17-18H,2-4,7-8,14H2,1H3,(H,15,19)
InChIKeyGLKPXEVAOSFLOE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.27
Rot. Bonds6

About 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide (PubChem CID 107864320) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
PubChem CID107864320
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H21N3O3/c1-2-13(7-17,8-18)15-12(19)11-5-9(14)6-16(11)10-3-4-10/h5-6,10,17-18H,2-4,7-8,14H2,1H3,(H,15,19)
InChIKeyGLKPXEVAOSFLOE-UHFFFAOYSA-N
XLogP0.27
TPSA100.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Dihydrokikumycin B
CID 193835
(4R)-(-)-Dihydrokikumycin B
CID 361491
4-amino-1-methyl-1H-pyrrole-2-carboxamide hydrochloride
CID 43810482
N-[3-(4-aminobutylamino)propyl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
CID 14487183
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 42628305
2-methyl-1-(1-methylpyrrole-2-carbonyl)-N-propan-2-ylazetidine-2-carboxamide
CID 49792796
2-[(4-acetamido-1H-pyrrole-2-carbonyl)amino]acetic acid
CID 145968386
4-amino-1-methyl-1H-pyrrole-2-carboxamide
CID 447042
N~1~-{(3S,4S)-4-(Hydroxymethyl)-1-[(1-methyl-1H-pyrrol-2-YL)carbonyl]hexahydro-3-pyridinyl}-1-cyclopropanecarboxamide
CID 91920850
methyl N-[(2S)-1-[(5-carbamoyl-1-methylpyrrol-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56803723
4-bromo-N-[(2S)-1-hydroxypropan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65808572
4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 75485160

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide (CID 107864320) is 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide is CCC(CO)(CO)NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide?
The InChIKey is GLKPXEVAOSFLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-13(7-17,8-18)15-12(19)11-5-9(14)6-16(11)10-3-4-10/h5-6,10,17-18H,2-4,7-8,14H2,1H3,(H,15,19).
What are the key properties of 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 107864320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).