(2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C14H27ClN4O3 — CID 90675110

IUPAC(2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCCC(N)=O.Cl
InChIInChI=1S/C14H26N4O3.ClH/c1-9(2)8-11(13(20)17-7-5-12(15)19)18-14(21)10-4-3-6-16-10;/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21);1H/t10-,11-;/m0./s1
InChIKeyPRNDTVFWQWYJPM-ACMTZBLWSA-N
MW334.85 g/mol
LogP-0.32
Rot. Bonds8

About (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 90675110) has the molecular formula C14H27ClN4O3 and a molecular weight of 334.85 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID90675110
Molecular FormulaC14H27ClN4O3
Molecular Weight334.85 g/mol
Exact Mass334.18
IUPAC Name(2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCCC(N)=O.Cl
InChIInChI=1S/C14H26N4O3.ClH/c1-9(2)8-11(13(20)17-7-5-12(15)19)18-14(21)10-4-3-6-16-10;/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21);1H/t10-,11-;/m0./s1
InChIKeyPRNDTVFWQWYJPM-ACMTZBLWSA-N
XLogP-0.32
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 90675110) is (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCCC(N)=O.Cl.
What is the InChIKey of (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PRNDTVFWQWYJPM-ACMTZBLWSA-N. The full InChI is InChI=1S/C14H26N4O3.ClH/c1-9(2)8-11(13(20)17-7-5-12(15)19)18-14(21)10-4-3-6-16-10;/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21);1H/t10-,11-;/m0./s1.
What are the key properties of (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of -0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 90675110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).