CID 58262387

C16H30N6O3 — CID 58262387

IUPAC—
SMILES[CH]N1CCN([CH])CCN(CC(=O)NCCN)CCN(CC(=O)O)CC1
InChIInChI=1S/C16H30N6O3/c1-19-5-6-20(2)8-10-22(14-16(24)25)12-11-21(9-7-19)13-15(23)18-4-3-17/h1-2H,3-14,17H2,(H,18,23)(H,24,25)
InChIKeyMBTGNRINCNYQAZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP-2.30
Rot. Bonds6

About CID 58262387

CID 58262387 (PubChem CID 58262387) has the molecular formula C16H30N6O3 and a molecular weight of 354.46 g/mol.

Molecular Properties

Compound NameCID 58262387
PubChem CID58262387
Molecular FormulaC16H30N6O3
Molecular Weight354.46 g/mol
Exact Mass354.24
IUPAC Name—
SMILES[CH]N1CCN([CH])CCN(CC(=O)NCCN)CCN(CC(=O)O)CC1
InChIInChI=1S/C16H30N6O3/c1-19-5-6-20(2)8-10-22(14-16(24)25)12-11-21(9-7-19)13-15(23)18-4-3-17/h1-2H,3-14,17H2,(H,18,23)(H,24,25)
InChIKeyMBTGNRINCNYQAZ-UHFFFAOYSA-N
XLogP-2.30
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze CID 58262387 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
2-[[2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-10-[2-(carboxymethylamino)-2-oxoethyl]-7-[2-(methylperoxymethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid
CID 89148034
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689
2-[4-[2-[(6-amino-6-oxohexyl)amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134493029
2-[4,7-bis(carboxymethyl)-10-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 159956923
2-[4,7-bis(carboxymethyl)-10-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632166
(2S)-2-amino-5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoic acid
CID 177035728
2-[4-[2-[(carbamoylamino)methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 141094929
2-[4-[2-[2-(tert-butylamino)ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166765892
2-[4,7-bis(carboxymethyl)-10-[2-[5-(methylamino)pentylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170047386
N-(2-aminoethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61207322

Frequently Asked Questions

What is the IUPAC name of CID 58262387?
The IUPAC name of CID 58262387 (CID 58262387) is not available.
What is the SMILES notation for CID 58262387?
The canonical SMILES for CID 58262387 is [CH]N1CCN([CH])CCN(CC(=O)NCCN)CCN(CC(=O)O)CC1.
What is the InChIKey of CID 58262387?
The InChIKey is MBTGNRINCNYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O3/c1-19-5-6-20(2)8-10-22(14-16(24)25)12-11-21(9-7-19)13-15(23)18-4-3-17/h1-2H,3-14,17H2,(H,18,23)(H,24,25).
What are the key properties of CID 58262387?
CID 58262387 has a molecular weight of 354.46 g/mol, XLogP of -2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58262387 is sourced from PubChem (CID 58262387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).