CID 157263533

C15H27BN4O6 — CID 157263533

IUPAC—
SMILES[B]CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
InChIInChI=1S/C15H27BN4O6/c16-12-20-7-5-18(10-14(23)24)3-1-17(9-13(21)22)2-4-19(6-8-20)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)
InChIKeyPXMVMURTGNXLNK-UHFFFAOYSA-N
MW370.22 g/mol
LogP-2.41
Rot. Bonds7

About CID 157263533

CID 157263533 (PubChem CID 157263533) has the molecular formula C15H27BN4O6 and a molecular weight of 370.22 g/mol.

Molecular Properties

Compound NameCID 157263533
PubChem CID157263533
Molecular FormulaC15H27BN4O6
Molecular Weight370.22 g/mol
Exact Mass370.20
IUPAC Name—
SMILES[B]CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
InChIInChI=1S/C15H27BN4O6/c16-12-20-7-5-18(10-14(23)24)3-1-17(9-13(21)22)2-4-19(6-8-20)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)
InChIKeyPXMVMURTGNXLNK-UHFFFAOYSA-N
XLogP-2.41
TPSA124.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 157263533 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

copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
trisodium;2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 134715404
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
2-[4-(carboxymethyl)-7-(nitrosomethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 144815029
2-[4,7,10,13-tetrakis(carboxymethyl)-16-(2-oxoethyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]acetic acid
CID 176706959
azanide;2-[4,7-bis(carboxymethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetic acid;uranium(2+)
CID 142009012
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
2-[4-(carboxymethyl)-7-(methylamino)-1,4,7-triazonan-1-yl]acetic acid
CID 149028587
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597

Frequently Asked Questions

What is the IUPAC name of CID 157263533?
The IUPAC name of CID 157263533 (CID 157263533) is not available.
What is the SMILES notation for CID 157263533?
The canonical SMILES for CID 157263533 is [B]CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.
What is the InChIKey of CID 157263533?
The InChIKey is PXMVMURTGNXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BN4O6/c16-12-20-7-5-18(10-14(23)24)3-1-17(9-13(21)22)2-4-19(6-8-20)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of CID 157263533?
CID 157263533 has a molecular weight of 370.22 g/mol, XLogP of -2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157263533 is sourced from PubChem (CID 157263533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).